 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer06_STD_wB97XD_def2SVPD.in
 Output=21_phenylethanol_conformer06_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-160436.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    160437.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer06_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:29:42 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer06_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.162345000000     -1.239247000000      0.453644000000
  C                                                 1.655725000000     -0.158939000000     -0.341230000000
  H                                                 1.881072000000     -1.094176000000      1.365099000000
  H                                                 1.854813000000     -0.482019000000     -1.367262000000
  C                                                 2.446699000000      1.114652000000     -0.080136000000
  C                                                 0.150796000000     -0.029950000000     -0.174166000000
  H                                                 2.272946000000      1.486730000000      0.932505000000
  H                                                 2.181966000000      1.904257000000     -0.785239000000
  H                                                 3.509095000000      0.900115000000     -0.189137000000
  C                                                -0.489673000000      1.190819000000      0.026062000000
  C                                                -1.872964000000      1.254695000000      0.167928000000
  C                                                -2.635845000000      0.097346000000      0.110092000000
  C                                                -2.007097000000     -1.127866000000     -0.090783000000
  C                                                -0.628986000000     -1.188612000000     -0.232307000000
  H                                                 0.084690000000      2.105244000000      0.074595000000
  H                                                -2.351327000000      2.213069000000      0.325179000000
  H                                                -3.711408000000      0.146804000000      0.220623000000
  H                                                -2.593574000000     -2.036616000000     -0.139348000000
  H                                                -0.138964000000     -2.142300000000     -0.378921000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:29:42 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114652   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900115   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097346    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213069    0.325179
     17          1           0       -3.711408    0.146804    0.220623
     18          1           0       -2.593574   -2.036616   -0.139348
     19          1           0       -0.138964   -2.142300   -0.378921
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.433720   0.000000
     3  H    0.964837   1.958828   0.000000
     4  H    1.995913   1.093965   2.800218   0.000000
     5  C    2.430354   1.521790   2.699548   2.134568   0.000000
     6  C    2.429583   1.519658   2.548680   2.128736   2.567124
     7  H    2.769926   2.170620   2.646087   3.056098   1.092737
     8  H    3.378881   2.175052   3.702039   2.477921   1.091206
     9  H    2.608404   2.140025   3.007209   2.456608   1.089308
    10  C    3.622326   2.561149   3.554526   3.199430   2.939279
    11  C    4.752378   3.835264   4.587287   4.389682   4.329046
    12  C    4.992708   4.322840   4.837076   4.762798   5.186844
    13  C    4.206311   3.797079   4.151938   4.118357   4.986512
    14  C    2.874825   2.508385   2.976746   2.820754   3.845519
    15  H    3.955496   2.787039   3.889560   3.450539   2.565989
    16  H    5.684032   4.703933   5.471061   5.274417   4.938811
    17  H    6.039570   5.405116   5.841720   5.822337   6.240951
    18  H    4.858621   4.650050   4.813939   4.869568   5.944607
    19  H    2.608581   2.675079   2.867179   2.776418   4.169252
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.833471   0.000000
     8  H    2.870578   1.770099   0.000000
     9  H    3.484741   1.769255   1.767742   0.000000
    10  C    1.393043   2.922544   2.881815   4.015092   0.000000
    11  C    2.421352   4.222202   4.215794   5.405532   1.392013
    12  C    2.803993   5.167493   5.222820   6.204375   2.410145
    13  C    2.422576   5.118789   5.217690   5.877989   2.773541
    14  C    1.397833   4.115270   4.215806   4.635554   2.397468
    15  H    2.150652   2.430439   2.275583   3.639841   1.080935
    16  H    3.397219   4.720203   4.677514   6.027679   2.144813
    17  H    3.886350   6.173708   6.231553   7.271248   3.392256
    18  H    3.399925   6.102938   6.225226   6.772698   3.856176
    19  H    2.141940   4.550495   4.682567   4.754013   3.375898
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387368   0.000000
    13  C    2.400317   1.391697   0.000000
    14  C    2.770815   2.407988   1.386690   0.000000
    15  H    2.136482   3.381453   3.854338   3.384230   0.000000
    16  H    1.082608   2.145576   3.384282   3.853399   2.451244
    17  H    2.147109   1.082358   2.150915   3.389662   4.274011
    18  H    3.383257   2.148907   1.082654   2.141812   4.936990
    19  H    3.852970   3.389626   2.145232   1.082191   4.277538
                   16         17         18         19
    16  H    0.000000
    17  H    2.475925   0.000000
    18  H    4.281856   2.479204   0.000000
    19  H    4.935539   4.285068   2.468537   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.54D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114653   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900116   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097345    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213068    0.325179
     17          1           0       -3.711408    0.146803    0.220623
     18          1           0       -2.593574   -2.036617   -0.139348
     19          1           0       -0.138963   -2.142300   -0.378921
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4591964           1.1778731           0.9168715
 Leave Link  202 at Thu Aug 12 22:29:42 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.2302688959 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0103823566 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.2198865392 Hartrees.
 Leave Link  301 at Thu Aug 12 22:29:43 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.20D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 22:29:43 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:29:43 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer06_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:29:44 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368546127 LenY=  5368466725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.702853432809    
 DIIS: error= 4.80D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.702853432809     IErMin= 1 ErrMin= 4.80D-03
 ErrMax= 4.80D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.32D-03 BMatP= 9.32D-03
 IDIUse=3 WtCom= 9.52D-01 WtEn= 4.80D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.375 Goal=   None    Shift=    0.000
 GapD=    0.375 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.07D-02 MaxDP=4.05D-01              OVMax= 1.67D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.52D-03    CP:  1.20D+00
 E= -385.710794404699     Delta-E=       -0.007940971890 Rises=F Damp=F
 DIIS: error= 5.50D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.710794404699     IErMin= 2 ErrMin= 5.50D-04
 ErrMax= 5.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-04 BMatP= 9.32D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.50D-03
 Coeff-Com: -0.207D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.206D-01 0.102D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.01D-03 MaxDP=7.93D-02 DE=-7.94D-03 OVMax= 6.59D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.22D-04    CP:  1.24D+00  1.13D+00
 E= -385.711040547261     Delta-E=       -0.000246142562 Rises=F Damp=F
 DIIS: error= 5.59D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.711040547261     IErMin= 2 ErrMin= 5.50D-04
 ErrMax= 5.59D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-04 BMatP= 2.88D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.59D-03
 Coeff-Com: -0.478D-01 0.501D+00 0.546D+00
 Coeff-En:   0.000D+00 0.529D-01 0.947D+00
 Coeff:     -0.476D-01 0.499D+00 0.549D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=1.53D-04 MaxDP=4.03D-03 DE=-2.46D-04 OVMax= 3.18D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.73D-05    CP:  1.24D+00  1.14D+00  1.06D+00
 E= -385.711218236190     Delta-E=       -0.000177688929 Rises=F Damp=F
 DIIS: error= 7.90D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.711218236190     IErMin= 4 ErrMin= 7.90D-05
 ErrMax= 7.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.78D-06 BMatP= 2.47D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.106D-01 0.418D-01 0.124D+00 0.845D+00
 Coeff:     -0.106D-01 0.418D-01 0.124D+00 0.845D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=5.70D-05 MaxDP=1.57D-03 DE=-1.78D-04 OVMax= 7.02D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.39D-05    CP:  1.24D+00  1.15D+00  1.09D+00  1.19D+00
 E= -385.711223971772     Delta-E=       -0.000005735582 Rises=F Damp=F
 DIIS: error= 3.61D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.711223971772     IErMin= 5 ErrMin= 3.61D-05
 ErrMax= 3.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-06 BMatP= 5.78D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.142D-02-0.378D-01-0.201D-01 0.308D+00 0.749D+00
 Coeff:      0.142D-02-0.378D-01-0.201D-01 0.308D+00 0.749D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=2.87D-05 MaxDP=1.02D-03 DE=-5.74D-06 OVMax= 2.91D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.29D-05    CP:  1.24D+00  1.15D+00  1.11D+00  1.17D+00  9.62D-01
 E= -385.711225186889     Delta-E=       -0.000001215117 Rises=F Damp=F
 DIIS: error= 6.54D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.711225186889     IErMin= 6 ErrMin= 6.54D-06
 ErrMax= 6.54D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.31D-08 BMatP= 1.04D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.865D-03-0.118D-01-0.112D-01 0.334D-01 0.195D+00 0.794D+00
 Coeff:      0.865D-03-0.118D-01-0.112D-01 0.334D-01 0.195D+00 0.794D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=6.38D-06 MaxDP=2.16D-04 DE=-1.22D-06 OVMax= 9.14D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.85D-06    CP:  1.24D+00  1.15D+00  1.11D+00  1.17D+00  1.01D+00
                    CP:  9.66D-01
 E= -385.711225244066     Delta-E=       -0.000000057178 Rises=F Damp=F
 DIIS: error= 3.16D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.711225244066     IErMin= 7 ErrMin= 3.16D-06
 ErrMax= 3.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.18D-09 BMatP= 4.31D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.260D-03-0.171D-02-0.278D-02-0.138D-01 0.122D-01 0.301D+00
 Coeff-Com:  0.705D+00
 Coeff:      0.260D-03-0.171D-02-0.278D-02-0.138D-01 0.122D-01 0.301D+00
 Coeff:      0.705D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=2.31D-06 MaxDP=6.01D-05 DE=-5.72D-08 OVMax= 4.45D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.28D-06    CP:  1.24D+00  1.15D+00  1.11D+00  1.17D+00  1.02D+00
                    CP:  1.03D+00  9.75D-01
 E= -385.711225255000     Delta-E=       -0.000000010934 Rises=F Damp=F
 DIIS: error= 1.16D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.711225255000     IErMin= 8 ErrMin= 1.16D-06
 ErrMax= 1.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-09 BMatP= 8.18D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.966D-04 0.194D-02 0.157D-02-0.120D-01-0.359D-01-0.624D-01
 Coeff-Com:  0.236D+00 0.871D+00
 Coeff:     -0.966D-04 0.194D-02 0.157D-02-0.120D-01-0.359D-01-0.624D-01
 Coeff:      0.236D+00 0.871D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=9.06D-07 MaxDP=2.26D-05 DE=-1.09D-08 OVMax= 2.00D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.27D-07    CP:  1.24D+00  1.15D+00  1.11D+00  1.17D+00  1.02D+00
                    CP:  1.04D+00  1.07D+00  9.42D-01
 E= -385.711225256709     Delta-E=       -0.000000001708 Rises=F Damp=F
 DIIS: error= 2.81D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.711225256709     IErMin= 9 ErrMin= 2.81D-07
 ErrMax= 2.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.43D-11 BMatP= 1.03D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.348D-04 0.562D-03 0.495D-03-0.256D-02-0.971D-02-0.268D-01
 Coeff-Com:  0.342D-01 0.221D+00 0.783D+00
 Coeff:     -0.348D-04 0.562D-03 0.495D-03-0.256D-02-0.971D-02-0.268D-01
 Coeff:      0.342D-01 0.221D+00 0.783D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=1.53D-07 MaxDP=3.95D-06 DE=-1.71D-09 OVMax= 3.17D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.13D-07    CP:  1.24D+00  1.15D+00  1.11D+00  1.17D+00  1.02D+00
                    CP:  1.04D+00  1.08D+00  9.82D-01  1.06D+00
 E= -385.711225256756     Delta-E=       -0.000000000048 Rises=F Damp=F
 DIIS: error= 1.62D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.711225256756     IErMin=10 ErrMin= 1.62D-07
 ErrMax= 1.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.93D-12 BMatP= 3.43D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.191D-05-0.933D-04-0.694D-04 0.934D-03 0.198D-02-0.597D-04
 Coeff-Com: -0.241D-01-0.574D-01 0.290D+00 0.789D+00
 Coeff:      0.191D-05-0.933D-04-0.694D-04 0.934D-03 0.198D-02-0.597D-04
 Coeff:     -0.241D-01-0.574D-01 0.290D+00 0.789D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=7.03D-08 MaxDP=2.66D-06 DE=-4.76D-11 OVMax= 1.37D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.55D-08    CP:  1.24D+00  1.15D+00  1.11D+00  1.17D+00  1.02D+00
                    CP:  1.04D+00  1.08D+00  9.96D-01  1.10D+00  9.16D-01
 E= -385.711225256754     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 2.18D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -385.711225256756     IErMin=11 ErrMin= 2.18D-08
 ErrMax= 2.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-13 BMatP= 6.93D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.253D-05-0.557D-04-0.485D-04 0.388D-03 0.105D-02 0.159D-02
 Coeff-Com: -0.725D-02-0.274D-01 0.185D-01 0.192D+00 0.822D+00
 Coeff:      0.253D-05-0.557D-04-0.485D-04 0.388D-03 0.105D-02 0.159D-02
 Coeff:     -0.725D-02-0.274D-01 0.185D-01 0.192D+00 0.822D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=2.24D-08 MaxDP=8.06D-07 DE= 1.93D-12 OVMax= 3.72D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.17D-08    CP:  1.24D+00  1.15D+00  1.11D+00  1.17D+00  1.02D+00
                    CP:  1.04D+00  1.08D+00  9.96D-01  1.11D+00  9.50D-01
                    CP:  1.08D+00
 E= -385.711225256770     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 1.05D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -385.711225256770     IErMin=12 ErrMin= 1.05D-08
 ErrMax= 1.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.58D-14 BMatP= 3.18D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.589D-06-0.724D-05-0.853D-05 0.213D-04 0.105D-03 0.511D-03
 Coeff-Com:  0.579D-03-0.235D-02-0.289D-01-0.265D-01 0.266D+00 0.791D+00
 Coeff:      0.589D-06-0.724D-05-0.853D-05 0.213D-04 0.105D-03 0.511D-03
 Coeff:      0.579D-03-0.235D-02-0.289D-01-0.265D-01 0.266D+00 0.791D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=5.46D-09 MaxDP=1.17D-07 DE=-1.52D-11 OVMax= 2.16D-07

 SCF Done:  E(RwB97XD) =  -385.711225257     A.U. after   12 cycles
            NFock= 12  Conv=0.55D-08     -V/T= 2.0113
 KE= 3.814034695469D+02 PE=-1.745263255475D+03 EE= 5.529286741322D+02
 Leave Link  502 at Thu Aug 12 22:30:50 2021, MaxMem=  5368709120 cpu:             527.6 elap:              66.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.73524456D+02

 Leave Link  801 at Thu Aug 12 22:30:50 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 4.24D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 2.01D-01 7.56D-02.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 3.53D-02 6.86D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 2.65D-03 1.42D-02.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 2.51D-04 4.48D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 1.36D-05 4.60D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 4.64D-07 1.04D-04.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 1.06D-08 1.95D-05.
     11 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 1.92D-10 3.00D-06.
     11 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 3.41D-12 4.13D-07.
      6 vectors produced by pass 10 Test12= 1.26D-13 8.33D-09 XBig12= 7.32D-14 4.90D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   116 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.126712D+03
      2  0.124954D+01  0.105367D+03
      3 -0.292046D+01  0.276328D+01  0.686116D+02
 Isotropic polarizability for W=    0.085645      100.23 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.919673D+02 -0.853822D+01  0.106635D+02
      2   0.417887D+02  0.227163D+02 -0.456476D+01
      3   0.501786D+02 -0.141780D+02 -0.609871D+01
      4   0.224033D+02 -0.700262D+02 -0.167226D+02
      5   0.650159D+01 -0.169278D+02  0.104852D+02
      6  -0.572198D+01 -0.264494D+01  0.125012D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.116432D+01 -0.379310D+01 -0.578843D+01
      2   0.124876D+02 -0.693974D+01  0.394131D+01
      3   0.112768D+02  0.393974D+02  0.673231D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.205185D+00  0.191982D+01 -0.266792D+02
      2   0.416188D+01 -0.110007D+02 -0.396934D+02
      3   0.309415D+02  0.111815D+03  0.112058D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.155013D+00 -0.141342D+01 -0.839294D+00
      2  -0.141342D+01  0.119815D+01 -0.181950D+01
      3  -0.839294D+00 -0.181950D+01 -0.862510D-01
 OR G Eigenvalues:    -2.4138     0.6889     2.6817  Iso=    -0.3190
 Eigenvectors:
   (1)   0.567755   0.536636   0.624240
   (2)   0.774124  -0.090144  -0.626583
   (3)  -0.279976   0.838985  -0.466602
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3190 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =     -123.83 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 5.01D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.20D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 4.09D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 4.34D-02 5.29D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 1.39D-03 7.24D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 1.97D-05 1.12D-03.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 2.57D-07 1.00D-04.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 2.62D-09 7.14D-06.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 2.15D-11 6.62D-07.
     30 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 1.46D-13 4.70D-08.
     10 vectors produced by pass  8 Test12= 2.11D-14 2.78D-09 XBig12= 1.34D-15 4.42D-09.
      2 vectors produced by pass  9 Test12= 2.11D-14 2.78D-09 XBig12= 1.01D-15 4.75D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   252 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 1.16D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 1.16D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.01D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126712D+03  0.124954D+01 -0.292046D+01
      2   0.124954D+01  0.105367D+03  0.276328D+01
      3  -0.292046D+01  0.276328D+01  0.686116D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.116432D+01 -0.379310D+01 -0.578843D+01
      2   0.124876D+02 -0.693974D+01  0.394131D+01
      3   0.112768D+02  0.393974D+02  0.673231D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.919673D+02 -0.853822D+01  0.106635D+02
      2   0.417887D+02  0.227163D+02 -0.456476D+01
      3   0.501786D+02 -0.141780D+02 -0.609871D+01
      4   0.224033D+02 -0.700262D+02 -0.167226D+02
      5   0.650159D+01 -0.169278D+02  0.104852D+02
      6  -0.572198D+01 -0.264494D+01  0.125012D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.429753D+01 -0.248780D+01  0.102341D+01 -0.477338D+01  0.333815D+01
      2  -0.248780D+01  0.206071D+01 -0.861979D+00  0.333815D+01 -0.469027D+01
      3   0.102341D+01 -0.861979D+00  0.155314D+01 -0.617973D+00  0.137610D+01
                 6             7             8             9            10 
      1  -0.617973D+00 -0.216307D+00 -0.666153D+00  0.128225D+01 -0.410993D+01
      2   0.137610D+01 -0.666153D+00  0.385380D+00 -0.104261D+01  0.938116D+00
      3  -0.639419D+00  0.128225D+01 -0.104261D+01 -0.473642D+01  0.892510D+00
                11            12            13            14            15 
      1   0.938116D+00  0.892510D+00  0.261942D+01 -0.429390D+01  0.236011D+00
      2  -0.226801D+01  0.363977D+00 -0.429390D+01  0.346763D+00 -0.822815D+00
      3   0.363977D+00 -0.818764D+00  0.236011D+00 -0.822815D+00  0.204511D+01
                16            17            18            19            20 
      1   0.233872D+01  0.195782D+00 -0.306949D+01 -0.827374D+00  0.173083D+00
      2   0.195782D+00 -0.105161D+01  0.273065D+01  0.173083D+00 -0.218798D+00
      3  -0.306949D+01  0.273065D+01  0.624008D+01  0.266356D+00  0.305806D+00
                21            22            23            24            25 
      1   0.266356D+00  0.491027D+00  0.130848D+00  0.673315D-01  0.211607D+01
      2   0.305806D+00  0.130848D+00 -0.484007D+00  0.560425D+00 -0.513810D+00
      3  -0.144468D+01  0.673315D-01  0.560425D+00  0.368323D+00  0.630559D+00
                26            27            28            29            30 
      1  -0.513810D+00  0.630559D+00  0.212171D+01 -0.437551D+00 -0.177289D+01
      2   0.167826D+01 -0.109846D+01 -0.437551D+00  0.692604D+00  0.276458D+00
      3  -0.109846D+01  0.676524D+01 -0.177289D+01  0.276458D+00  0.136054D+01
                31            32            33            34            35 
      1  -0.185394D+01  0.161391D+01  0.504289D+00 -0.468562D+01  0.654661D+00
      2   0.161391D+01 -0.119036D+01 -0.121128D+01  0.654661D+00 -0.153020D+01
      3   0.504289D+00 -0.121128D+01 -0.176870D+01  0.287904D+01 -0.184470D+01
                36            37            38            39            40 
      1   0.287904D+01 -0.733324D+01  0.204198D+01  0.884646D+00  0.421778D+01
      2  -0.184470D+01  0.204198D+01  0.255834D+01 -0.300447D+00  0.272267D+01
      3  -0.747591D+01  0.884646D+00 -0.300447D+00  0.141486D+01 -0.288080D+00
                41            42            43            44            45 
      1   0.272267D+01 -0.288080D+00  0.612968D+00  0.112479D+00  0.567187D+00
      2  -0.570254D+00  0.160313D+01  0.112479D+00  0.178673D+01 -0.372768D+01
      3   0.160313D+01 -0.389775D+01  0.567187D+00 -0.372768D+01 -0.357703D+01
                46            47            48            49            50 
      1   0.171358D+02 -0.204599D+01 -0.822900D+00 -0.200239D+01 -0.182348D+01
      2  -0.204599D+01  0.279780D+01 -0.693252D-02 -0.182348D+01 -0.220526D+00
      3  -0.822900D+00 -0.693252D-02  0.177877D+01 -0.475424D+00  0.191049D+00
                51            52            53            54            55 
      1  -0.475424D+00 -0.492196D+00 -0.420445D+00  0.400959D+01  0.152822D+00
      2   0.191049D+00 -0.420445D+00 -0.704697D-01 -0.388660D+00  0.364189D-01
      3  -0.434376D+00  0.400959D+01 -0.388660D+00 -0.137334D+01  0.665206D+00
                56            57            58            59            60 
      1   0.364189D-01  0.665206D+00  0.168995D+00  0.133509D+00  0.109249D+00
      2  -0.571093D+00 -0.989559D-01  0.133509D+00  0.178594D+01  0.116077D+01
      3  -0.989559D-01 -0.662844D+00  0.109249D+00  0.116077D+01  0.172081D+01
                61            62            63            64            65 
      1   0.211650D+01  0.764530D+00  0.600287D+00 -0.159908D-02  0.411001D+00
      2   0.764530D+00  0.212192D+01  0.228127D+01  0.411001D+00 -0.848362D+00
      3   0.600287D+00  0.228127D+01  0.596698D+01 -0.659907D+00  0.327537D+00
                66            67            68            69            70 
      1  -0.659907D+00  0.115385D+01  0.261179D+00 -0.464970D-01 -0.167846D+01
      2   0.327537D+00  0.261179D+00  0.504722D+01 -0.245690D+01 -0.524547D+00
      3  -0.614318D+00 -0.464970D-01 -0.245690D+01  0.256947D+01  0.859406D-01
                71            72            73            74            75 
      1  -0.524547D+00  0.859406D-01  0.119408D+02  0.427053D+00 -0.748058D+00
      2  -0.306338D+01  0.252433D+01  0.427053D+00  0.109508D+01 -0.173579D-01
      3   0.252433D+01 -0.282106D+01 -0.748058D+00 -0.173579D-01  0.115454D+01
                76            77            78            79            80 
      1  -0.184318D+01  0.793659D+00  0.619014D-01 -0.990491D+00 -0.728896D-01
      2   0.793659D+00 -0.355463D+00 -0.255333D+00 -0.728896D-01 -0.448336D+00
      3   0.619014D-01 -0.255333D+00  0.849734D-04  0.120917D+01  0.373672D+00
                81            82            83            84            85 
      1   0.120917D+01 -0.552733D+01 -0.869604D+00 -0.126336D-01  0.828751D+01
      2   0.373672D+00 -0.869604D+00  0.317060D+01  0.747057D+00  0.323028D+00
      3  -0.853676D-01 -0.126336D-01  0.747057D+00  0.124975D+01 -0.122684D+00
                86            87            88            89            90 
      1   0.323028D+00 -0.122684D+00  0.166835D+01  0.860745D-01  0.167860D+01
      2   0.177268D+01 -0.580168D+00  0.860745D-01 -0.940220D+00  0.371387D+01
      3  -0.580168D+00  0.185333D+01  0.167860D+01  0.371387D+01  0.502330D+00
                91            92            93            94            95 
      1   0.390609D+01  0.150151D+00 -0.244572D+00  0.539096D+01  0.280733D-01
      2   0.150151D+00 -0.254721D+01  0.294017D+00  0.280733D-01  0.127835D+01
      3  -0.244572D+00  0.294017D+00 -0.786224D+00  0.884658D-01 -0.501650D+00
                96            97            98            99           100 
      1   0.884658D-01  0.341834D-01  0.607670D+00 -0.216423D+01 -0.592693D+01
      2  -0.501650D+00  0.607670D+00 -0.540389D+00  0.377941D+01 -0.330018D-02
      3   0.174445D+01 -0.216423D+01  0.377941D+01  0.156115D+01 -0.415829D+00
               101           102           103           104           105 
      1  -0.330018D-02 -0.415829D+00  0.519633D+00  0.463755D+00  0.565629D+00
      2  -0.329762D+01 -0.115728D+00  0.463755D+00 -0.439528D+00 -0.282250D+00
      3  -0.115728D+00 -0.216337D+01  0.565629D+00 -0.282250D+00 -0.860298D-01
               106           107           108           109           110 
      1  -0.530018D+00  0.647640D+00 -0.545329D+01  0.261861D+01 -0.403332D+00
      2   0.647640D+00  0.233467D+00  0.823347D-01 -0.403332D+00 -0.288892D+01
      3  -0.545329D+01  0.823347D-01  0.994664D+00 -0.488347D+00 -0.671823D+00
               111           112           113           114           115 
      1  -0.488347D+00 -0.563200D+01  0.442183D+00  0.637498D+00 -0.134311D+01
      2  -0.671823D+00  0.442183D+00 -0.540060D+00  0.615961D+00  0.808990D-01
      3  -0.137314D+01  0.637498D+00  0.615961D+00 -0.173040D+01 -0.282962D+01
               116           117           118           119           120 
      1   0.808990D-01 -0.282962D+01 -0.433678D+01  0.190187D+01  0.228495D+00
      2   0.105472D+01 -0.352809D+01  0.190187D+01  0.297300D+01 -0.127055D+00
      3  -0.352809D+01 -0.335645D+00  0.228495D+00 -0.127055D+00  0.903185D+00
               121           122           123           124           125 
      1  -0.685340D+01  0.812991D+00 -0.133551D+00 -0.107746D+00 -0.470771D+00
      2   0.812991D+00 -0.162781D+01  0.508300D+00 -0.470771D+00  0.897244D-01
      3  -0.133551D+00  0.508300D+00 -0.163585D+01  0.953652D+00 -0.373637D+01
               126           127           128           129           130 
      1   0.953652D+00  0.360526D+01  0.212573D+01  0.419258D-02  0.211360D+01
      2  -0.373637D+01  0.212573D+01  0.237363D+01  0.185249D-01  0.270513D+01
      3  -0.163988D+01  0.419258D-02  0.185249D-01  0.184701D+00  0.157732D+00
               131           132           133           134           135 
      1   0.270513D+01  0.157732D+00 -0.259650D+00  0.109115D+00 -0.118199D+00
      2   0.654922D+01  0.339903D+00  0.109115D+00  0.454363D+00  0.113828D-01
      3   0.339903D+00  0.675863D+00 -0.118199D+00  0.113828D-01  0.240118D-01
               136           137           138           139           140 
      1  -0.282346D+01  0.291556D+01  0.519278D+00  0.265766D+01 -0.396433D+01
      2   0.291556D+01 -0.307606D+01 -0.537979D+00 -0.396433D+01  0.854526D+01
      3   0.519278D+00 -0.537979D+00 -0.528449D+00 -0.570953D+00  0.116848D+01
               141           142           143           144           145 
      1  -0.570953D+00  0.593184D+00 -0.729509D+00 -0.156473D+00 -0.128930D+02
      2   0.116848D+01 -0.729509D+00  0.131802D+01  0.226003D+00  0.405564D+00
      3   0.105016D+01 -0.156473D+00  0.226003D+00  0.159615D+00  0.109654D+01
               146           147           148           149           150 
      1   0.405564D+00  0.109654D+01  0.441443D+00 -0.157369D+01 -0.217116D+00
      2  -0.791931D+00 -0.764372D-02 -0.157369D+01  0.141284D+00  0.137839D+00
      3  -0.764372D-02 -0.108854D+01 -0.217116D+00  0.137839D+00  0.732089D-01
               151           152           153           154           155 
      1   0.134777D+01 -0.205028D+00 -0.102251D+00 -0.393302D+01 -0.349623D+01
      2  -0.205028D+00  0.818265D-01  0.378521D-01 -0.349623D+01 -0.354560D+01
      3  -0.102251D+00  0.378521D-01  0.153617D+00 -0.115456D+00 -0.766751D-01
               156           157           158           159           160 
      1  -0.115456D+00 -0.334574D+01 -0.440877D+01 -0.327141D+00 -0.928390D-01
      2  -0.766751D-01 -0.440877D+01 -0.767351D+01 -0.429435D+00 -0.174665D+00
      3  -0.532363D+00 -0.327141D+00 -0.429435D+00 -0.863372D+00 -0.229976D-01
               161           162           163           164           165 
      1  -0.174665D+00 -0.229976D-01  0.193406D+01 -0.178272D+01 -0.300043D+00
      2  -0.524083D+00 -0.147851D+00 -0.178272D+01  0.233186D+01  0.489199D+00
      3  -0.147851D+00 -0.960318D-01 -0.300043D+00  0.489199D+00  0.413211D+00
               166           167           168           169           170 
      1  -0.175785D+01  0.229510D+01  0.371312D+00 -0.431322D+00  0.518965D+00
      2   0.229510D+01 -0.767495D+01 -0.112214D+01  0.518965D+00 -0.103572D+01
      3   0.371312D+00 -0.112214D+01 -0.104492D+01  0.202719D-01 -0.246366D+00
               171 
      1   0.202719D-01
      2  -0.246366D+00
      3  -0.227006D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.144206D+01  0.921991D+00  0.316035D+01 -0.241479D+01  0.691329D+00
      2   0.832880D+00 -0.276563D+01  0.955766D+01  0.106044D+00  0.318674D+01
      3   0.175018D+01 -0.967990D+01  0.179468D+01 -0.993374D+00  0.102816D+02
                 6             7             8             9            10 
      1  -0.671173D+01 -0.154645D-01  0.116303D+01 -0.725906D+01 -0.378485D+00
      2  -0.221808D+01  0.340119D+01 -0.126509D+01 -0.108289D+02  0.185499D+01
      3  -0.242895D+01  0.153947D+01 -0.188443D+01  0.887562D+00 -0.220246D+01
                11            12            13            14            15 
      1   0.432463D+00 -0.121726D+00  0.307956D+01  0.162046D+01 -0.236509D+00
      2   0.510782D+00 -0.131915D+01 -0.571420D+00 -0.382929D+01  0.371348D+01
      3   0.180495D+01 -0.204906D-01  0.144888D+02  0.354821D-02  0.209322D+01
                16            17            18            19            20 
      1   0.288829D+00  0.409962D+01 -0.186702D+01  0.424459D+00 -0.408041D+00
      2  -0.119435D+02  0.439856D+01  0.936231D+01  0.298793D+01  0.267936D+00
      3   0.454090D+00  0.387705D+01 -0.657038D+01  0.118424D+01  0.875689D+00
                21            22            23            24            25 
      1  -0.221366D+01 -0.218690D+00  0.130840D+01  0.301515D+00  0.381792D+00
      2  -0.348985D+01 -0.114222D+01  0.969977D+00  0.930443D+00 -0.247599D+01
      3  -0.997879D+00  0.984268D+00  0.528131D+00 -0.718030D+00 -0.402632D+00
                26            27            28            29            30 
      1   0.917218D+00  0.102275D+02 -0.155428D+00 -0.133346D+01  0.731026D-01
      2  -0.250272D+01  0.156155D+02 -0.198756D+01  0.491414D+00  0.281075D+01
      3  -0.273250D+01  0.325935D+01  0.545243D+00 -0.328922D+01 -0.299217D+00
                31            32            33            34            35 
      1  -0.164616D+01  0.948433D+00 -0.626675D+00  0.909664D-01  0.231299D+01
      2   0.146689D+00 -0.809737D+00 -0.322916D+01  0.928233D+00 -0.288143D+01
      3  -0.212782D+01  0.208599D+01  0.234442D+01 -0.274614D+00  0.274250D+01
                36            37            38            39            40 
      1  -0.228477D+00 -0.207057D+01 -0.455483D+00 -0.247496D+01 -0.985969D+00
      2  -0.123283D+02  0.297511D+01  0.131405D+00  0.598168D+01  0.543756D+00
      3   0.382892D+01 -0.180285D+02 -0.863008D+01  0.247166D+01 -0.124841D+01
                41            42            43            44            45 
      1  -0.393938D+01  0.301114D+01  0.783471D+00  0.699911D+01  0.404371D+01
      2   0.505795D+01 -0.102812D+02 -0.953066D+00 -0.104301D+02 -0.901935D+01
      3   0.635285D+01 -0.544655D+01  0.226308D+01 -0.485388D+01  0.133350D+02
                46            47            48            49            50 
      1   0.591275D+00  0.124201D+01  0.132980D+01  0.294380D+01 -0.168267D+01
      2  -0.180050D+01 -0.601558D+00 -0.815407D+00 -0.647075D+00 -0.406056D+00
      3   0.676554D+01  0.608967D+01  0.484809D-01  0.163349D+02  0.811573D+00
                51            52            53            54            55 
      1   0.121358D+01  0.446523D+00  0.105827D+02  0.139692D+01 -0.614800D+00
      2  -0.586890D+00 -0.128580D+02 -0.565320D+00  0.245137D-01  0.280664D+01
      3  -0.400314D+00 -0.160306D+01 -0.282862D+01  0.411426D+00 -0.981796D+00
                56            57            58            59            60 
      1  -0.207459D+00  0.869503D+00 -0.158456D+00 -0.129211D+01 -0.395963D+01
      2  -0.160550D+00 -0.109393D+01 -0.388768D+00  0.298109D+01  0.496087D+01
      3   0.158467D+01  0.140447D+01  0.218436D+01 -0.491305D+01 -0.327644D+01
                61            62            63            64            65 
      1  -0.636542D+00 -0.687430D+00 -0.860179D+01  0.490011D+00  0.789522D-01
      2  -0.164241D+01  0.586384D+01  0.157183D+02 -0.239206D+01  0.568876D+00
      3   0.163194D+01 -0.552951D+01 -0.694450D+01 -0.251296D+01  0.285987D+01
                66            67            68            69            70 
      1   0.127003D+01  0.157255D+00  0.152347D+01 -0.478370D+01  0.375516D+00
      2  -0.129257D+01  0.771918D+00 -0.595251D+01  0.624764D+01 -0.204585D+01
      3  -0.209417D+01  0.411023D+01 -0.142647D+02  0.726316D+01 -0.222358D+01
                71            72            73            74            75 
      1  -0.119766D+01  0.376117D+01  0.289816D+00 -0.304425D+00 -0.130886D+01
      2   0.567856D+01 -0.670790D+01 -0.480026D+00  0.216321D+00  0.566482D+01
      3   0.821523D+01 -0.745436D+01  0.132791D+02 -0.586914D+01 -0.992927D+00
                76            77            78            79            80 
      1  -0.159873D+00  0.362943D+00 -0.481766D+00 -0.104893D+01  0.530495D+00
      2   0.687700D-02 -0.517079D+00 -0.320025D+00  0.208849D+01  0.993496D+00
      3  -0.275433D+01  0.223968D+01  0.910001D+00 -0.112045D+01  0.141128D+01
                81            82            83            84            85 
      1  -0.150338D+00 -0.148612D+01  0.224528D+00 -0.208561D+01  0.988408D+00
      2   0.329627D-01 -0.230002D+01 -0.514313D-01 -0.108624D+01  0.249295D+01
      3  -0.266195D+00 -0.718427D+01 -0.104071D+01  0.130842D+01  0.560380D+01
                86            87            88            89            90 
      1   0.270845D+00 -0.215605D+01 -0.599441D+01  0.247931D+01  0.562559D+00
      2  -0.359053D+00 -0.955411D+00 -0.135101D+02 -0.226091D+00  0.715546D+00
      3   0.478376D+01 -0.720059D+00  0.173945D+01  0.316186D+00  0.522868D+01
                91            92            93            94            95 
      1   0.176303D+01 -0.700516D+00  0.132465D+01  0.383099D-01  0.808027D-01
      2   0.192125D+00  0.408763D+00  0.997742D+00  0.811544D+00  0.188309D+01
      3   0.407683D+01 -0.111241D+02 -0.113180D+01  0.551596D+01  0.162799D+01
                96            97            98            99           100 
      1  -0.221137D+01  0.563131D+01  0.141531D+01 -0.667404D+00 -0.741007D-01
      2  -0.426517D+01 -0.710899D+01 -0.101844D+02 -0.207715D+01 -0.151128D+00
      3  -0.128194D+01 -0.117785D+00 -0.125008D+01  0.525756D+01 -0.740160D+00
               101           102           103           104           105 
      1   0.853285D+00  0.464589D+00  0.319866D+00 -0.182716D+01  0.136593D+01
      2   0.399859D-01  0.597138D+01 -0.225423D+01  0.302519D-01  0.102071D+00
      3  -0.663891D+01 -0.151926D+00  0.114813D+02 -0.322928D+01 -0.147698D+01
               106           107           108           109           110 
      1   0.118366D+01  0.117231D+02  0.110063D+01 -0.104718D+01 -0.449277D+00
      2   0.810644D+01 -0.524726D+00 -0.177122D+01  0.898142D+00  0.176142D+01
      3   0.187286D+01 -0.451794D+00 -0.793381D+00  0.479664D+00 -0.132258D+02
               111           112           113           114           115 
      1  -0.200491D+01  0.125014D+01  0.192712D+00 -0.172240D+01 -0.664902D+01
      2   0.206274D+01 -0.605963D+00 -0.166844D+01  0.412398D+01 -0.467349D+01
      3  -0.147993D+01  0.320378D+01  0.214753D+01  0.101256D+01  0.292871D+00
               116           117           118           119           120 
      1   0.274924D+01  0.146744D+01  0.461315D+00 -0.283742D+00  0.137388D+01
      2   0.103741D+02  0.174201D+01 -0.271931D+01  0.106248D+01 -0.840155D+00
      3   0.286833D+01 -0.427388D+01 -0.548818D+00 -0.200269D+01 -0.144450D+01
               121           122           123           124           125 
      1  -0.941952D+00 -0.444019D+00 -0.243742D+01  0.539269D+01  0.208309D+01
      2   0.352065D+00  0.626919D+00  0.188696D+01 -0.136409D+02  0.115425D+01
      3   0.153522D+01 -0.824073D+01 -0.136352D+00 -0.265036D+01  0.596713D+00
               126           127           128           129           130 
      1  -0.151663D+01  0.277047D+00  0.257127D+00 -0.143081D+01 -0.286601D+00
      2   0.205389D+01 -0.617723D+00 -0.172786D+00  0.203351D+00 -0.857797D-01
      3  -0.593814D+01  0.110605D+02  0.417861D+01 -0.911156D-01  0.724787D+01
               131           132           133           134           135 
      1  -0.277786D+00 -0.318192D+01  0.608837D+00  0.178243D+01 -0.119418D+00
      2  -0.394488D+00  0.820706D+00 -0.165157D+01 -0.430443D+00 -0.953848D-02
      3   0.675075D+01  0.474853D+00 -0.536027D+00  0.134961D+00 -0.159209D+00
               136           137           138           139           140 
      1  -0.251729D+00  0.148687D+00  0.191579D+01  0.113578D+00  0.189672D+00
      2  -0.465153D+00  0.720848D+00  0.199759D+01  0.480543D+00 -0.192035D+01
      3   0.824969D+00 -0.304068D+01 -0.410354D+00 -0.181606D+01  0.129610D+02
               141           142           143           144           145 
      1  -0.411692D+01 -0.607517D+00  0.174464D+01 -0.376149D+00 -0.123864D+00
      2  -0.328102D+01 -0.410303D+00  0.435403D+00 -0.408282D+00 -0.165803D+01
      3   0.166288D+01 -0.400944D+00  0.171573D+01  0.710539D-01 -0.407888D+00
               146           147           148           149           150 
      1  -0.351472D+00  0.272588D+00 -0.170460D+00 -0.152179D-01 -0.304217D+00
      2  -0.677453D-01  0.643588D+01  0.797625D+00 -0.278761D+00 -0.373482D+00
      3  -0.519326D+01  0.162372D+00 -0.395435D+01  0.362762D+00  0.350887D+00
               151           152           153           154           155 
      1  -0.523743D-01  0.453096D+00 -0.284132D-01  0.217179D+00  0.451122D+00
      2  -0.259343D+01 -0.409369D-01 -0.598849D+00 -0.394029D+00 -0.389112D+00
      3  -0.736898D+00  0.501179D+00  0.206627D+00 -0.114968D+01 -0.434833D+01
               156           157           158           159           160 
      1  -0.212571D+01 -0.136364D+00  0.188078D+00 -0.362588D+01  0.835684D+00
      2   0.240275D+01  0.206003D+00  0.350421D+00  0.323958D+01 -0.740350D+00
      3   0.332692D-01 -0.300543D+01 -0.121311D+02 -0.447763D+00 -0.356708D+00
               161           162           163           164           165 
      1   0.146812D+01 -0.149529D+00  0.246081D+00 -0.116293D+00  0.171199D+01
      2  -0.687917D+00  0.184987D+00  0.956847D+00 -0.589903D+00  0.156672D+00
      3  -0.127863D+01 -0.194415D+00 -0.683428D+01  0.400584D+01  0.509425D+00
               166           167           168           169           170 
      1  -0.310740D+00  0.719686D+00 -0.364170D+01 -0.390543D+00  0.206515D+01
      2  -0.102055D+01  0.104933D+01 -0.515239D+00 -0.163706D+01  0.217463D+00
      3   0.656988D+01 -0.753483D+01 -0.123611D+01  0.629295D+00 -0.156970D+01
               171 
      1  -0.214125D+00
      2  -0.242948D+00
      3   0.108264D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.183017D+02 -0.244276D+01 -0.115321D+01 -0.573617D+01 -0.239630D+01
      2  -0.792028D+01 -0.290896D+01 -0.267082D+01 -0.100421D+01  0.142360D+02
      3  -0.103814D+02  0.535172D+01  0.382404D+01  0.674038D+01 -0.118397D+02
      4  -0.165103D+02  0.205470D+02 -0.336475D+01  0.261761D+02 -0.271519D+02
      5   0.693712D+01 -0.398411D+01  0.137841D+02 -0.551766D+01  0.702648D+01
      6  -0.293591D+01  0.304084D+01 -0.546987D+01  0.476152D+01 -0.706201D+01
                 6             7             8             9            10 
      1   0.306278D+01  0.927256D+00 -0.134552D-01  0.101761D+02  0.100393D+02
      2  -0.570910D-02  0.646356D+00 -0.262911D+01  0.211353D+01 -0.611168D+01
      3  -0.305707D+01 -0.157361D+01  0.264256D+01 -0.122896D+02 -0.392762D+01
      4   0.725651D+01 -0.554227D+01  0.496131D+01 -0.913491D+01  0.503606D+01
      5  -0.508615D+01  0.131884D+02 -0.666638D+01 -0.149680D+02  0.357331D+01
      6   0.962284D+01 -0.536412D+01  0.628638D+01  0.653177D+01 -0.175133D+01
                11            12            13            14            15 
      1  -0.220376D+01  0.840816D+00 -0.452692D+01 -0.732051D+01  0.925059D+00
      2  -0.355302D+00 -0.178808D+01 -0.108346D+01 -0.114139D+01  0.140690D+01
      3   0.255906D+01  0.947264D+00  0.561037D+01  0.846190D+01 -0.233196D+01
      4  -0.185747D+02  0.930315D+00 -0.292330D+02  0.100906D+01 -0.469683D+01
      5   0.102635D+01 -0.948445D+01  0.356153D+01 -0.399584D+01  0.944509D+01
      6  -0.220686D+01  0.120601D+01 -0.243894D+01  0.209691D+01 -0.587163D+01
                16            17            18            19            20 
      1  -0.872399D+01  0.132479D+01  0.169795D+00 -0.953607D+00 -0.190284D+01
      2  -0.615203D+01  0.628362D+01  0.106822D+02 -0.451153D+00  0.104534D+01
      3   0.148760D+02 -0.760840D+01 -0.108520D+02  0.140476D+01  0.857502D+00
      4   0.427339D+01 -0.869242D+01  0.144082D+02  0.797842D-01 -0.153047D+01
      5  -0.167404D+02  0.132710D+02  0.245987D+02  0.138671D+01  0.270625D+00
      6   0.735265D+01 -0.563428D+00 -0.508670D+01 -0.328242D+00 -0.131312D+01
                21            22            23            24            25 
      1   0.579674D+01 -0.436037D-01 -0.255678D+01 -0.195650D+00  0.571478D+01
      2  -0.214294D+00 -0.688592D+00  0.200032D+01 -0.258020D+01 -0.306998D+01
      3  -0.558244D+01  0.732195D+00  0.556462D+00  0.277585D+01 -0.264480D+01
      4  -0.863579D+00  0.101269D+01 -0.109184D+01  0.191301D+01 -0.477678D+01
      5  -0.349771D+01  0.817846D-01  0.149576D+01  0.164765D+01  0.515877D+01
      6   0.311761D+01  0.390962D+00 -0.140134D+01  0.262793D+01 -0.929332D+00
                26            27            28            29            30 
      1   0.238055D+01 -0.138951D+02  0.478256D+01 -0.810147D+00 -0.406150D+01
      2  -0.132821D+01 -0.847429D+01 -0.608672D+01  0.114399D+01  0.467846D+01
      3  -0.105234D+01  0.223694D+02  0.130416D+01 -0.333842D+00 -0.616961D+00
      4   0.613837D+01 -0.218562D+01 -0.296063D+01  0.653280D+01  0.235110D+01
      5  -0.401410D+01  0.242799D+02 -0.982300D+01  0.231824D+01  0.116407D+02
      6   0.448299D+01 -0.136591D+02  0.249350D+01 -0.374606D+00 -0.134190D+01
                31            32            33            34            35 
      1  -0.334252D+00 -0.213766D+01 -0.262925D+01 -0.339153D+01 -0.319716D+01
      2   0.164784D+01 -0.501898D+00 -0.805941D+00  0.961983D+01 -0.194073D+01
      3  -0.131359D+01  0.263956D+01  0.343519D+01 -0.622830D+01  0.513789D+01
      4   0.957580D+01 -0.562111D+01 -0.566890D+01  0.380615D+01 -0.688327D+01
      5   0.339018D+01 -0.512808D+01 -0.760864D+01  0.184327D+02 -0.792045D+01
      6  -0.194654D+01  0.388717D+01  0.829626D+01 -0.455795D+01  0.568392D+01
                36            37            38            39            40 
      1  -0.101544D+02 -0.514519D+02  0.116894D+01  0.650132D+01  0.144388D+02
      2  -0.155903D+02  0.323469D+02  0.471128D+01 -0.435533D+01 -0.316503D+01
      3   0.257446D+02  0.191050D+02 -0.588022D+01 -0.214598D+01 -0.112737D+02
      4  -0.903891D+01  0.255128D+01  0.172480D+02 -0.349816D-01  0.202263D+02
      5  -0.312843D+02  0.732043D+01 -0.128490D+01  0.791438D+01 -0.163444D+01
      6   0.957818D+01  0.315272D+01 -0.946349D+00  0.561853D+01 -0.559341D+00
                41            42            43            44            45 
      1   0.169136D+02 -0.512998D+01  0.736905D+01 -0.333371D+01  0.165648D+02
      2  -0.705495D+01  0.656708D+01 -0.231524D+01  0.602483D+01 -0.116336D+02
      3  -0.985869D+01 -0.143710D+01 -0.505381D+01 -0.269112D+01 -0.493125D+01
      4   0.369773D+01  0.720910D+01  0.206959D+01  0.838141D+01 -0.150295D+02
      5   0.736389D+01 -0.174246D+02  0.355538D+01 -0.173950D+02 -0.175814D+02
      6   0.803425D+01 -0.111114D+02  0.684287D+00 -0.129554D+02 -0.661953D+01
                46            47            48            49            50 
      1  -0.220417D+02 -0.456237D+00 -0.754769D+00  0.237670D+01 -0.766134D+01
      2   0.749019D+01  0.622365D+00 -0.494246D+00  0.642960D+00  0.131996D+02
      3   0.145515D+02 -0.166128D+00  0.124901D+01 -0.301966D+01 -0.553825D+01
      4  -0.850326D+01  0.533871D+01 -0.171070D+00 -0.123028D+02  0.223420D+01
      5  -0.271031D+01 -0.111267D+00  0.248090D+01 -0.167368D+01  0.880756D+00
      6  -0.667667D+00 -0.683001D+00 -0.157948D+01  0.166639D+01  0.186143D+01
                51            52            53            54            55 
      1  -0.485734D-01  0.409709D+01  0.123599D+00 -0.100999D+02  0.282879D+01
      2   0.214947D+01 -0.158416D+01  0.723150D+00 -0.423123D+01 -0.234605D+01
      3  -0.210090D+01 -0.251293D+01 -0.846748D+00  0.143311D+02 -0.482737D+00
      4   0.123334D+01 -0.104516D+01  0.199107D+01 -0.114735D+01  0.248319D+00
      5  -0.167431D+01  0.361620D+01 -0.130104D+01  0.188617D+00  0.225153D+01
      6  -0.283621D+01  0.399224D+00  0.280443D+01 -0.187599D+01  0.234156D+01
                56            57            58            59            60 
      1   0.214846D+01  0.417649D+01  0.157850D+01 -0.683500D+01 -0.417032D+01
      2  -0.211436D+01 -0.121859D+01 -0.207045D+00  0.703513D+01  0.405991D+01
      3  -0.340983D-01 -0.295790D+01 -0.137146D+01 -0.200133D+00  0.110415D+00
      4  -0.148204D+01  0.172912D+01  0.291261D+01  0.812285D+01  0.532541D+01
      5   0.493128D+00 -0.822742D-01  0.131906D+01  0.549345D+01  0.873252D+01
      6  -0.534655D+00 -0.171000D+01  0.802083D+00  0.564208D+01  0.103210D+02
                61            62            63            64            65 
      1   0.793009D+01 -0.398960D+01 -0.123643D+02  0.211653D+00  0.510213D+01
      2  -0.406597D+01  0.428552D+01 -0.592396D-01  0.658190D+00 -0.451597D+01
      3  -0.386413D+01 -0.295919D+00  0.124236D+02 -0.869843D+00 -0.586160D+00
      4   0.787509D+01  0.105689D+02  0.984376D+01  0.634488D+00 -0.731874D+00
      5   0.669720D+01  0.113481D+02  0.285373D+02 -0.214448D+01  0.135555D+00
      6   0.180772D+01  0.109138D+02  0.185213D+02 -0.282538D+01  0.200320D+01
                66            67            68            69            70 
      1  -0.489198D+01  0.500045D+01 -0.156913D+02  0.859449D+01 -0.624246D+01
      2   0.253010D+01 -0.229827D+01  0.218126D+02 -0.942317D+01  0.267078D+01
      3   0.236188D+01 -0.270218D+01 -0.612136D+01  0.828678D+00  0.357167D+01
      4  -0.110525D+01  0.634942D+01  0.223696D+02 -0.107409D+02 -0.644267D+01
      5  -0.101406D+01 -0.172222D+01 -0.112052D+02  0.119947D+02  0.335506D+01
      6  -0.289204D+01 -0.806174D+00 -0.132926D+02  0.125867D+02  0.662909D+00
                71            72            73            74            75 
      1   0.840357D+01 -0.114789D+02  0.839249D+02  0.817604D+00 -0.504782D+01
      2  -0.914993D+01  0.532764D+01 -0.452295D+02  0.166578D+01  0.333230D+01
      3   0.746363D+00  0.615127D+01 -0.386954D+02 -0.248338D+01  0.171552D+01
      4  -0.140440D+02  0.104105D+02  0.172567D+02  0.108626D+02 -0.109036D+01
      5   0.116938D+02 -0.121702D+02 -0.756115D+01 -0.177323D+00  0.108177D+02
      6   0.128266D+02 -0.126389D+02 -0.182671D+01 -0.368594D+00  0.255436D+01
                76            77            78            79            80 
      1  -0.124731D+02  0.541714D+01  0.105795D+01 -0.610351D+01  0.424363D+00
      2   0.858703D+01 -0.258213D+01 -0.120986D+01  0.400323D+01 -0.106436D+01
      3   0.388605D+01 -0.283501D+01  0.151913D+00  0.210028D+01  0.640000D+00
      4   0.701293D+01 -0.173847D+01 -0.135421D+01 -0.153301D+01 -0.243004D+01
      5   0.789608D+00 -0.157556D+01 -0.103876D+01  0.114266D+02  0.163566D+01
      6  -0.196795D+00 -0.571635D+00  0.154387D+01  0.171616D+01  0.236208D+01
                81            82            83            84            85 
      1   0.564753D+01  0.468034D+01 -0.158607D+02 -0.286101D+01  0.340130D+00
      2  -0.411021D+01 -0.432977D+01  0.122083D+02  0.150719D+01 -0.107388D+02
      3  -0.153732D+01 -0.350566D+00  0.365244D+01  0.135382D+01  0.103987D+02
      4   0.256653D+01 -0.979544D+01 -0.125016D+02  0.531569D+00  0.652504D+01
      5  -0.160815D+01 -0.112314D+01  0.887494D+00 -0.209942D+01  0.418492D+00
      6   0.209832D+00  0.290849D+01  0.193769D+01  0.463588D+01 -0.440242D+01
                86            87            88            89            90 
      1   0.322220D+01  0.156569D+01 -0.881054D+00  0.412599D+01 -0.149348D+02
      2  -0.761608D+01 -0.130735D+01 -0.896438D+00 -0.503544D+01  0.307381D+01
      3   0.439388D+01 -0.258338D+00  0.177749D+01  0.909451D+00  0.118610D+02
      4  -0.131734D+02 -0.142213D+01  0.310686D-01  0.217197D+01 -0.289937D+01
      5  -0.143419D+01  0.117287D-01  0.290076D+01 -0.319674D+01  0.160193D+01
      6  -0.227874D+01  0.567991D+01  0.447206D+01  0.155110D+02 -0.766008D+00
                91            92            93            94            95 
      1   0.187409D+01  0.208301D+02  0.721734D+00 -0.247018D+02  0.102022D+02
      2  -0.337163D+01 -0.139647D+02 -0.538019D+00  0.226009D+02 -0.142948D+02
      3   0.149753D+01 -0.686542D+01 -0.183715D+00  0.210090D+01  0.409259D+01
      4   0.137369D+02 -0.432351D+01 -0.462060D+01  0.796099D+01  0.544161D+01
      5   0.277524D+01 -0.500754D+01  0.988188D+00 -0.208599D+00  0.323711D+01
      6  -0.464633D+01  0.250245D+01 -0.356517D+01  0.257246D+01 -0.592941D+01
                96            97            98            99           100 
      1   0.184567D+01 -0.104096D+01 -0.297565D+01 -0.424721D+01 -0.804807D+01
      2  -0.409312D+01  0.422614D+01 -0.283141D+01 -0.368808D+01  0.539766D+01
      3   0.224745D+01 -0.318518D+01  0.580707D+01  0.793529D+01  0.265041D+01
      4   0.318501D+01 -0.474644D+01  0.689185D+01 -0.165208D+02  0.114856D+01
      5  -0.905420D+01  0.133354D+02 -0.166379D+02 -0.471895D+01  0.718579D+01
      6   0.475278D+01 -0.751157D+01  0.150133D+02  0.257006D+01  0.470439D+00
               101           102           103           104           105 
      1   0.146732D+01  0.509908D+01 -0.268317D+01 -0.217084D+02 -0.383150D+01
      2  -0.114996D+01 -0.325103D+01  0.194953D+01  0.183091D+02  0.507122D+01
      3  -0.317365D+00 -0.184805D+01  0.733641D+00  0.339927D+01 -0.123972D+01
      4   0.222195D+02  0.763800D+00 -0.210970D+02  0.548908D+01  0.333189D+01
      5   0.727875D+00  0.134272D+02 -0.668706D+01  0.290218D+01  0.211984D+00
      6  -0.664510D+00 -0.963660D+00  0.298414D+01  0.172971D+01 -0.329416D+01
               106           107           108           109           110 
      1   0.903925D+01 -0.450781D+01  0.156904D+02  0.199788D+01 -0.220831D+02
      2  -0.355356D+01  0.377860D+01 -0.192849D+02 -0.411835D+01  0.134891D+02
      3  -0.548569D+01  0.729208D+00  0.359453D+01  0.212047D+01  0.859402D+01
      4  -0.726841D+01 -0.851677D+00 -0.726077D+00 -0.178537D+02  0.217644D+01
      5   0.364609D+02 -0.145739D+00 -0.421055D+01 -0.247400D+00  0.435667D+01
      6  -0.932857D+00  0.379311D+01 -0.201693D+01  0.276293D+01  0.270432D+01
               111           112           113           114           115 
      1  -0.301705D+01  0.250851D+02  0.758171D+01  0.239701D+00  0.526465D+01
      2   0.566369D+00 -0.234451D+02 -0.119919D+02 -0.115571D+00 -0.558371D+01
      3   0.245068D+01 -0.163995D+01  0.441017D+01 -0.124130D+00  0.319065D+00
      4   0.402055D+01  0.536346D+01 -0.121329D+02 -0.507487D+01  0.255307D+01
      5   0.445479D+01 -0.211903D+01 -0.467566D+01  0.887494D+01  0.174723D+02
      6   0.459057D+01 -0.412632D+01 -0.279560D+01  0.465023D+01  0.867171D+01
               116           117           118           119           120 
      1   0.532852D+01 -0.533924D-01  0.752089D+01  0.128922D+02 -0.203508D+00
      2  -0.587467D+01 -0.604840D+01 -0.596033D+01 -0.982470D+01  0.623927D+00
      3   0.546158D+00  0.610179D+01 -0.156056D+01 -0.306745D+01 -0.420419D+00
      4  -0.432529D+01  0.157674D+02  0.119563D+02 -0.169024D+02 -0.275679D+01
      5   0.164506D+02  0.403897D+01  0.519495D+00 -0.307719D+01 -0.318520D+01
      6   0.136399D+02 -0.173258D+01 -0.243277D+01  0.141962D+01 -0.297185D+01
               121           122           123           124           125 
      1  -0.712248D+00  0.689191D+01  0.343346D+01 -0.140314D+01 -0.181574D+00
      2   0.831715D+01 -0.111873D+02 -0.396318D+01  0.324932D+01 -0.400024D+01
      3  -0.760490D+01  0.429544D+01  0.529727D+00 -0.184618D+01  0.418181D+01
      4   0.104275D+02  0.129073D+02  0.125996D+01  0.121318D+01  0.351017D+01
      5   0.126697D+01  0.114377D+01  0.114376D+01  0.356042D-01  0.485259D+01
      6   0.287526D+01 -0.581914D+01  0.461557D+01 -0.445497D+01  0.149920D+02
               126           127           128           129           130 
      1  -0.159135D+02 -0.854251D+00 -0.653824D+01 -0.780854D-02 -0.802243D+01
      2   0.227110D+01  0.411984D+01  0.964927D+01  0.174288D+00  0.115500D+02
      3   0.136424D+02 -0.326559D+01 -0.311104D+01 -0.166480D+00 -0.352753D+01
      4   0.504042D+01  0.911601D+01  0.725740D+01  0.340193D+00  0.700962D+01
      5   0.422536D+01  0.309737D+00  0.525913D+00  0.629685D+00  0.568736D+00
      6   0.465055D+01 -0.352452D+00 -0.177958D+00  0.154460D+01  0.669934D+00
               131           132           133           134           135 
      1  -0.231051D+02 -0.122149D+01 -0.874269D+00 -0.159172D+01 -0.629646D+00
      2   0.321411D+02  0.112549D+01  0.879071D+00  0.213311D+01  0.101756D+01
      3  -0.903602D+01  0.960002D-01 -0.480214D-02 -0.541394D+00 -0.387915D+00
      4   0.618237D+01  0.314570D+00  0.192283D+00 -0.287712D+00  0.125779D+01
      5   0.885246D+00  0.780337D+00  0.561399D+00  0.820841D+00 -0.293702D-01
      6   0.132092D+01  0.501518D+01  0.452784D+00  0.125409D+01  0.501763D+00
               136           137           138           139           140 
      1   0.822167D+01 -0.635619D+01 -0.870751D+00 -0.131721D+01 -0.101825D+02
      2   0.233386D+01 -0.480446D+01 -0.945277D-01 -0.107474D+02  0.320783D+02
      3  -0.105555D+02  0.111607D+02  0.965279D+00  0.120646D+02 -0.218958D+02
      4  -0.222706D+02  0.254080D+02  0.393649D+01  0.273022D+02 -0.477231D+02
      5  -0.331100D+01  0.349548D+01  0.465767D+01  0.337440D+01 -0.536186D+01
      6   0.254541D+01 -0.295338D+01 -0.295423D+01 -0.347543D+01  0.747266D+01
               141           142           143           144           145 
      1  -0.160063D+01 -0.828289D+00 -0.640828D+00 -0.113637D+01  0.978908D+02
      2   0.295000D+01 -0.116313D+01  0.352061D+01  0.183230D+01 -0.563891D+02
      3  -0.134937D+01  0.199142D+01 -0.287978D+01 -0.695928D+00 -0.415018D+02
      4  -0.624177D+01  0.507601D+01 -0.750953D+01 -0.254866D+01 -0.581369D+01
      5  -0.552541D+01  0.163193D+01 -0.185827D+01 -0.132822D+01 -0.977873D+01
      6   0.752776D+01 -0.161291D+01  0.329019D+01  0.180020D+01 -0.111632D+01
               146           147           148           149           150 
      1  -0.275588D+01 -0.690025D+01 -0.264536D+01  0.923699D+01  0.918176D+00
      2   0.131464D+01  0.483408D+01  0.116869D+01 -0.464546D+01 -0.772220D+00
      3   0.144124D+01  0.206617D+01  0.147667D+01 -0.459152D+01 -0.145956D+00
      4   0.862586D+01  0.226742D+00  0.146039D+02 -0.150154D+01 -0.119820D+01
      5   0.644887D-01  0.112266D+02  0.168199D+01 -0.109137D+01 -0.578940D+00
      6  -0.502857D+00 -0.219575D+00 -0.857639D+00 -0.111587D+00  0.154003D+01
               151           152           153           154           155 
      1  -0.955415D+01  0.998328D+00  0.330541D+01  0.152957D+02  0.104196D+02
      2   0.571408D+01 -0.681397D+00 -0.218442D+01 -0.748383D+00  0.319548D+01
      3   0.384007D+01 -0.316931D+00 -0.112099D+01 -0.145473D+02 -0.136151D+02
      4   0.198274D+01 -0.953500D+00 -0.472583D+00  0.280357D+02  0.288053D+02
      5   0.330011D+01 -0.325738D+00 -0.200509D+01  0.186954D+01  0.136507D+01
      6  -0.791150D-01  0.819522D+00  0.271788D+00  0.370139D+00  0.203848D+00
               156           157           158           159           160 
      1   0.636588D+00  0.570685D+01 -0.159536D+01  0.147560D+00 -0.662212D+00
      2  -0.208868D+00  0.857697D+01  0.231407D+02  0.366946D+00  0.984826D+00
      3  -0.427720D+00 -0.142838D+02 -0.215453D+02 -0.514506D+00 -0.322614D+00
      4   0.932666D+00  0.313462D+02  0.465638D+02  0.261816D+01  0.114729D+01
      5   0.494226D+01  0.274900D+01  0.351204D+01  0.536283D+01  0.139872D+01
      6   0.294496D+01  0.148166D+01  0.213671D+01  0.605791D+01  0.120596D+01
               161           162           163           164           165 
      1  -0.869087D+00 -0.673112D+00 -0.527109D+01  0.822972D+01  0.210296D+01
      2   0.167059D+01  0.125875D+01  0.624147D+01 -0.102402D+02 -0.146594D+01
      3  -0.801502D+00 -0.585633D+00 -0.970381D+00  0.201050D+01 -0.637018D+00
      4   0.248720D+01  0.218901D+01 -0.484288D+01  0.639191D+01  0.100812D+01
      5   0.131402D+01  0.417086D+00 -0.350156D+00  0.738723D+00  0.101057D+01
      6   0.233318D+01  0.717005D+00  0.183793D+01 -0.308608D+01 -0.254476D+01
               166           167           168           169           170 
      1   0.783669D+01 -0.285202D+02 -0.480532D+01  0.131037D+01 -0.365129D+01
      2  -0.999698D+01  0.375523D+02  0.426367D+01 -0.166245D+01  0.427329D+01
      3   0.216029D+01 -0.903206D+01  0.541645D+00  0.352078D+00 -0.622000D+00
      4   0.554033D+01 -0.263372D+01 -0.169598D+00  0.113487D+01 -0.112483D+01
      5   0.360935D+00  0.527105D+00 -0.214554D+00  0.925281D+00 -0.675699D+00
      6  -0.231526D+01  0.784352D+01  0.688711D+01 -0.733110D+00  0.287916D+01
               171 
      1  -0.171444D+01
      2   0.198668D+01
      3  -0.272248D+00
      4  -0.177979D+01
      5  -0.903961D+00
      6   0.180660D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:43:10 2021, MaxMem=  5368709120 cpu:            5895.8 elap:             739.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.26543 -10.35699 -10.31086 -10.30561 -10.30506
 Alpha  occ. eigenvalues --  -10.30477 -10.30424 -10.30174 -10.29312  -1.11552
 Alpha  occ. eigenvalues --   -0.95892  -0.87516  -0.84412  -0.82216  -0.73505
 Alpha  occ. eigenvalues --   -0.69810  -0.67831  -0.62449  -0.57689  -0.55822
 Alpha  occ. eigenvalues --   -0.54971  -0.53222  -0.51902  -0.51066  -0.47184
 Alpha  occ. eigenvalues --   -0.46895  -0.45642  -0.45010  -0.42964  -0.40679
 Alpha  occ. eigenvalues --   -0.37321  -0.33719  -0.32824
 Alpha virt. eigenvalues --    0.04700   0.05297   0.08510   0.10483   0.10997
 Alpha virt. eigenvalues --    0.11805   0.13043   0.13574   0.13863   0.16701
 Alpha virt. eigenvalues --    0.17440   0.18062   0.18619   0.19898   0.20350
 Alpha virt. eigenvalues --    0.20946   0.22472   0.22781   0.22996   0.23719
 Alpha virt. eigenvalues --    0.24547   0.25263   0.25768   0.26043   0.28455
 Alpha virt. eigenvalues --    0.29107   0.29819   0.30343   0.31246   0.31697
 Alpha virt. eigenvalues --    0.32624   0.33279   0.34101   0.34265   0.34403
 Alpha virt. eigenvalues --    0.35349   0.36611   0.37505   0.37825   0.39022
 Alpha virt. eigenvalues --    0.39716   0.39990   0.40445   0.41111   0.41597
 Alpha virt. eigenvalues --    0.42462   0.42686   0.42901   0.43813   0.44463
 Alpha virt. eigenvalues --    0.44766   0.45715   0.45960   0.46806   0.46971
 Alpha virt. eigenvalues --    0.47267   0.47534   0.48002   0.48705   0.48941
 Alpha virt. eigenvalues --    0.49481   0.50291   0.50506   0.51302   0.51859
 Alpha virt. eigenvalues --    0.52979   0.53654   0.54445   0.55066   0.55252
 Alpha virt. eigenvalues --    0.56258   0.57218   0.57902   0.58562   0.59418
 Alpha virt. eigenvalues --    0.59897   0.61546   0.61938   0.62350   0.63558
 Alpha virt. eigenvalues --    0.64236   0.65167   0.66612   0.67183   0.67493
 Alpha virt. eigenvalues --    0.68728   0.69424   0.70389   0.70804   0.72123
 Alpha virt. eigenvalues --    0.73255   0.73673   0.74647   0.75187   0.76687
 Alpha virt. eigenvalues --    0.77595   0.79282   0.80538   0.81404   0.82300
 Alpha virt. eigenvalues --    0.83241   0.84080   0.85564   0.86390   0.87104
 Alpha virt. eigenvalues --    0.89518   0.90480   0.92040   0.92587   0.99379
 Alpha virt. eigenvalues --    1.00175   1.02355   1.03360   1.04661   1.05276
 Alpha virt. eigenvalues --    1.05465   1.07472   1.07623   1.08953   1.10572
 Alpha virt. eigenvalues --    1.11491   1.12313   1.14568   1.15593   1.16598
 Alpha virt. eigenvalues --    1.17636   1.19439   1.20670   1.21197   1.22509
 Alpha virt. eigenvalues --    1.24320   1.25857   1.28689   1.29943   1.30432
 Alpha virt. eigenvalues --    1.31916   1.32879   1.34322   1.35741   1.38275
 Alpha virt. eigenvalues --    1.39381   1.43359   1.45433   1.46508   1.47162
 Alpha virt. eigenvalues --    1.50012   1.52487   1.55359   1.56870   1.59437
 Alpha virt. eigenvalues --    1.62590   1.65703   1.66690   1.67973   1.68724
 Alpha virt. eigenvalues --    1.70169   1.71688   1.72707   1.74981   1.78225
 Alpha virt. eigenvalues --    1.79082   1.81945   1.86332   1.87300   1.90615
 Alpha virt. eigenvalues --    1.91036   1.91741   1.94278   1.96834   1.97637
 Alpha virt. eigenvalues --    1.98934   1.99698   2.01532   2.04418   2.06491
 Alpha virt. eigenvalues --    2.07746   2.09830   2.10577   2.13357   2.13414
 Alpha virt. eigenvalues --    2.14716   2.15281   2.18540   2.19799   2.19939
 Alpha virt. eigenvalues --    2.25989   2.27150   2.28628   2.31706   2.33838
 Alpha virt. eigenvalues --    2.38099   2.40415   2.41948   2.43511   2.45200
 Alpha virt. eigenvalues --    2.48172   2.49546   2.50068   2.51132   2.53613
 Alpha virt. eigenvalues --    2.56309   2.58551   2.60789   2.64505   2.67260
 Alpha virt. eigenvalues --    2.69727   2.70351   2.74170   2.78787   2.85017
 Alpha virt. eigenvalues --    2.92905   2.93639   2.95182   2.97904   3.00895
 Alpha virt. eigenvalues --    3.06320   3.10237   3.12195   3.16540   3.17956
 Alpha virt. eigenvalues --    3.20299   3.22509   3.24701   3.28647   3.30843
 Alpha virt. eigenvalues --    3.32761   3.43491   3.64844   3.79651   4.03991
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.250030   0.054779   0.219481   0.024881  -0.009601   0.004849
     2  C    0.054779   6.060040   0.068164  -0.026548   0.493072  -0.204021
     3  H    0.219481   0.068164   0.573690   0.000057  -0.009993  -0.051059
     4  H    0.024881  -0.026548   0.000057   1.014070  -0.037867   0.056593
     5  C   -0.009601   0.493072  -0.009993  -0.037867   4.255153   0.024500
     6  C    0.004849  -0.204021  -0.051059   0.056593   0.024500   8.543154
     7  H   -0.014619   0.173711  -0.004437   0.002261   0.253855  -0.023052
     8  H    0.008129   0.077896  -0.002018  -0.033625   0.259045  -0.013192
     9  H    0.002523   0.067576   0.001331  -0.006336   0.288518   0.010335
    10  C   -0.005046  -0.463618   0.020862   0.104728  -0.094004  -0.098662
    11  C   -0.003359   0.009056  -0.000125  -0.001821   0.029119   0.374016
    12  C    0.000075   0.055824  -0.001276  -0.004192   0.004387  -0.159328
    13  C    0.010396   0.076543   0.000255  -0.003743  -0.006629   0.319430
    14  C   -0.040021  -0.422533  -0.010129   0.047645   0.020909  -0.297909
    15  H   -0.002145  -0.278571   0.007959   0.039767  -0.153198  -1.160564
    16  H    0.000152   0.007386  -0.000227  -0.000381   0.004430  -0.039313
    17  H   -0.000083  -0.002269   0.000076   0.000162  -0.000368   0.151324
    18  H    0.000456   0.004291  -0.000288  -0.001541   0.000495   0.069795
    19  H    0.016317  -0.181787  -0.011882   0.014647   0.000471  -0.659704
               7          8          9         10         11         12
     1  O   -0.014619   0.008129   0.002523  -0.005046  -0.003359   0.000075
     2  C    0.173711   0.077896   0.067576  -0.463618   0.009056   0.055824
     3  H   -0.004437  -0.002018   0.001331   0.020862  -0.000125  -0.001276
     4  H    0.002261  -0.033625  -0.006336   0.104728  -0.001821  -0.004192
     5  C    0.253855   0.259045   0.288518  -0.094004   0.029119   0.004387
     6  C   -0.023052  -0.013192   0.010335  -0.098662   0.374016  -0.159328
     7  H    0.637343   0.036852  -0.091025  -0.026911   0.002254  -0.000058
     8  H    0.036852   0.662154  -0.121911  -0.044788   0.006331   0.000382
     9  H   -0.091025  -0.121911   1.055141   0.047708  -0.001719  -0.000208
    10  C   -0.026911  -0.044788   0.047708   7.412259  -0.233962   0.476016
    11  C    0.002254   0.006331  -0.001719  -0.233962   6.635692   0.097668
    12  C   -0.000058   0.000382  -0.000208   0.476016   0.097668   6.056480
    13  C   -0.000990  -0.000610   0.000050  -0.193838   0.477174  -0.016439
    14  C   -0.007451  -0.002773   0.001725  -0.037296  -0.155007   0.429195
    15  H   -0.027091  -0.045465   0.037003  -0.004853  -0.733350  -0.082139
    16  H   -0.000214  -0.000009  -0.000114  -0.308143   0.071805  -0.368101
    17  H    0.000037  -0.000013   0.000003  -0.065077  -0.289585   0.116566
    18  H    0.000005   0.000034  -0.000004   0.162963  -0.084642  -0.358134
    19  H   -0.001160  -0.000402  -0.000871  -0.006112   0.164235  -0.051343
              13         14         15         16         17         18
     1  O    0.010396  -0.040021  -0.002145   0.000152  -0.000083   0.000456
     2  C    0.076543  -0.422533  -0.278571   0.007386  -0.002269   0.004291
     3  H    0.000255  -0.010129   0.007959  -0.000227   0.000076  -0.000288
     4  H   -0.003743   0.047645   0.039767  -0.000381   0.000162  -0.001541
     5  C   -0.006629   0.020909  -0.153198   0.004430  -0.000368   0.000495
     6  C    0.319430  -0.297909  -1.160564  -0.039313   0.151324   0.069795
     7  H   -0.000990  -0.007451  -0.027091  -0.000214   0.000037   0.000005
     8  H   -0.000610  -0.002773  -0.045465  -0.000009  -0.000013   0.000034
     9  H    0.000050   0.001725   0.037003  -0.000114   0.000003  -0.000004
    10  C   -0.193838  -0.037296  -0.004853  -0.308143  -0.065077   0.162963
    11  C    0.477174  -0.155007  -0.733350   0.071805  -0.289585  -0.084642
    12  C   -0.016439   0.429195  -0.082139  -0.368101   0.116566  -0.358134
    13  C    6.678601  -0.552439   0.169928  -0.052724  -0.300903   0.078808
    14  C   -0.552439   7.139449   0.067853   0.106801   0.002890  -0.297267
    15  H    0.169928   0.067853   3.033162  -0.592421   0.061391  -0.018290
    16  H   -0.052724   0.106801  -0.592421   2.213997  -0.504675   0.054643
    17  H   -0.300903   0.002890   0.061391  -0.504675   1.951604  -0.447793
    18  H    0.078808  -0.297267  -0.018290   0.054643  -0.447793   2.014586
    19  H   -0.330382   0.233068   0.038552  -0.015734   0.047493  -0.400659
              19
     1  O    0.016317
     2  C   -0.181787
     3  H   -0.011882
     4  H    0.014647
     5  C    0.000471
     6  C   -0.659704
     7  H   -0.001160
     8  H   -0.000402
     9  H   -0.000871
    10  C   -0.006112
    11  C    0.164235
    12  C   -0.051343
    13  C   -0.330382
    14  C    0.233068
    15  H    0.038552
    16  H   -0.015734
    17  H    0.047493
    18  H   -0.400659
    19  H    1.701837
 Mulliken charges:
               1
     1  O   -0.517192
     2  C    0.431008
     3  H    0.199560
     4  H   -0.188758
     5  C    0.677708
     6  C   -0.847192
     7  H    0.090690
     8  H    0.213985
     9  H   -0.289724
    10  C   -0.642227
    11  C   -0.363779
    12  C   -0.195374
    13  C   -0.352487
    14  C   -0.226709
    15  H    0.642472
    16  H    0.422841
    17  H    0.279221
    18  H    0.222541
    19  H    0.443418
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.317632
     2  C    0.242250
     5  C    0.692658
     6  C   -0.847192
    10  C    0.000245
    11  C    0.059062
    12  C    0.083846
    13  C   -0.129946
    14  C    0.216709
 Electronic spatial extent (au):  <R**2>=           1279.9152
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.8035    Y=              1.2507    Z=              0.3779  Tot=              1.5339
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.9707   YY=            -52.9103   ZZ=            -54.3419
   XY=              3.9482   XZ=             -0.4305   YZ=              0.2111
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.2297   YY=              0.8307   ZZ=             -0.6010
   XY=              3.9482   XZ=             -0.4305   YZ=              0.2111
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -13.9904  YYY=              0.0836  ZZZ=              6.0309  XYY=             -7.6140
  XXY=              8.2611  XXZ=              1.1959  XZZ=             14.9227  YZZ=             -4.8332
  YYZ=              0.6486  XYZ=             -1.8097
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1161.3581 YYYY=           -420.8329 ZZZZ=            -91.6101 XXXY=             18.4483
 XXXZ=            -11.0839 YYYX=              0.9924 YYYZ=              1.2315 ZZZX=             11.4550
 ZZZY=             -7.9819 XXYY=           -275.9546 XXZZ=           -217.1918 YYZZ=            -89.5134
 XXYZ=              2.6096 YYXZ=             -0.2077 ZZXY=             -8.8879
 N-N= 4.252198865392D+02 E-N=-1.745263254715D+03  KE= 3.814034695469D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:43:10 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.94882136D-01 4.52113215D-01 1.66017669D-01
 Polarizability= 1.20304629D+02 1.44257949D+00 1.00119864D+02
                -3.12062470D+00 2.77414581D+00 6.39036978D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.4609    1.4602        0.6245    0.6248
 2     -1.4609   -1.4602       -1.3815   -1.3816      -10.6770  -10.6727
 3     -0.6245   -0.6248       29.0549   29.0503        1.3816    1.3816
 4      1.3815    1.3816       -0.0000    0.0000       -0.6234   -0.6248
 5    -18.3778  -18.3776        0.6234    0.6248        1.4575    1.4602
 6     -1.3816   -1.3816       -1.4575   -1.4602       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.3807   -4.3807        1.8743    1.8743
 2      4.1449    4.1449       -0.0000    0.0000        1.8743    1.8743
 3      4.1449    4.1449       -4.3807   -4.3807       -0.0000    0.0000
 4     -4.3807   -4.3807       -4.1449   -4.1449      -32.0181  -32.0181
 5     -1.8743   -1.8743       87.1510   87.1510        4.1449    4.1449
 6    -55.1329  -55.1329        1.8743    1.8743        4.3807    4.3807
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0079    0.0000       -6.0339   -5.8409       -2.8327   -2.4991
 2      5.7108    5.8409        5.1830    5.5266       42.6343   42.6908
 3      2.5598    2.4991     -116.1754 -116.2013       -5.5404   -5.5266
 4     -5.4559   -5.5266        0.0251    0.0000        2.5262    2.4991
 5     73.5155   73.5106       -2.5246   -2.4991       -5.9552   -5.8409
 6      5.5630    5.5266        5.9000    5.8409        0.0442    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0497    0.0000        5.4047    5.4883       -8.7976   -8.6945
 2     -5.4675   -5.4883       43.5163   43.3387       16.2364   16.2081
 3      8.2614    8.6945       10.2314   11.1360      -44.5602  -43.3387
 4    -43.3258  -43.3387       -0.1713    0.0000        8.7726    8.6945
 5    -27.5158  -27.3441       -9.1879   -8.6945        4.5515    5.4883
 6     43.3965   43.3387       -5.1372   -5.4883        0.0581    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.2482   -8.3899       -9.5048   -9.9022        9.2956    9.1465
 2    -80.3382  -80.5114       -5.9157   -5.6398        9.2632    9.1465
 3    -80.2866  -80.5114      -10.0843   -9.9022       15.3551   15.2282
 4     -4.1656   -4.2623       72.2879   72.1215       21.5487   21.5909
 5      5.7210    6.0817       22.2287   22.8221      -72.9869  -72.1215
 6    -44.4588  -44.4130       -6.1347   -6.0817        3.3890    4.2623
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.0020   -0.0006   -0.0002    0.0003    1.9050    4.5380
 Low frequencies ---   26.6731  145.4104  220.0769
 Diagonal vibrational polarizability:
       51.5011210       9.0039718      35.2628008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     26.6539               145.4100               220.0768
 Red. masses --      3.6345                 3.5574                 3.4762
 Frc consts  --      0.0015                 0.0443                 0.0992
 IR Inten    --      1.0683                 0.5434                 1.1219
 RamAct Fr= 1--      2.3460                 4.2992                 0.0691
  Dep-P Fr= 1--      0.7497                 0.7397                 0.6307
  Dep-U Fr= 1--      0.8570                 0.8504                 0.7735
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0001
 Beta2  Fr= 1--      0.3351                 0.6093                 0.0089
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.0009
 Gamma2 Fr= 1--      0.7822                 0.3463                -0.1259
 Delta2 Fr= 1--      0.5791                 0.2844                -0.0389
 Raman1 Fr= 1--       9.384                 17.197                  0.276
 ROA1   Fr= 1--      93.618                 42.342                -13.332
 CID1   Fr= 1--       9.976                  2.462                -48.266
 Raman2 Fr= 1--       4.021                  7.312                  0.107
 ROA2   Fr= 1--      14.139                  6.036                 -2.710
 CID2   Fr= 1--       3.516                  0.825                -25.370
 Raman3 Fr= 1--       8.042                 14.624                  0.214
 ROA3   Fr= 1--      93.618                 42.342                -13.332
 CID3   Fr= 1--      11.642                  2.895                -62.399
 RC180  Fr= 1--       0.714                  0.701                  0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.10   0.23     0.16  -0.02  -0.10    -0.17  -0.04  -0.01
     2   6    -0.00  -0.05   0.01    -0.02  -0.01   0.04    -0.02   0.04   0.00
     3   1    -0.08   0.24   0.18     0.43   0.00  -0.02    -0.14   0.00  -0.00
     4   1    -0.00  -0.25   0.08    -0.20   0.02  -0.01    -0.12  -0.00  -0.00
     5   6     0.01  -0.01  -0.24    -0.01   0.01  -0.10     0.23  -0.10  -0.07
     6   6     0.00  -0.02  -0.01    -0.01  -0.03   0.22    -0.00   0.15   0.05
     7   1     0.06   0.16  -0.29     0.19  -0.00  -0.06     0.48  -0.12  -0.02
     8   1    -0.03  -0.13  -0.35    -0.18   0.01  -0.04     0.23  -0.03   0.01
     9   1     0.00  -0.02  -0.25    -0.02   0.04  -0.33     0.18  -0.27  -0.28
    10   6     0.03  -0.03   0.14    -0.01  -0.02   0.18    -0.09   0.11   0.05
    11   6     0.03  -0.02   0.15    -0.03   0.02  -0.04    -0.12  -0.04  -0.00
    12   6     0.01   0.00   0.00    -0.06   0.05  -0.21    -0.02  -0.10  -0.04
    13   6    -0.02   0.01  -0.15    -0.05   0.02  -0.06     0.10  -0.05  -0.00
    14   6    -0.02   0.00  -0.16    -0.03  -0.02   0.17     0.10   0.09   0.05
    15   1     0.05  -0.05   0.25     0.01  -0.04   0.26    -0.16   0.16   0.07
    16   1     0.05  -0.03   0.27    -0.02   0.03  -0.12    -0.22  -0.09  -0.02
    17   1     0.01   0.01   0.00    -0.08   0.08  -0.45    -0.02  -0.19  -0.09
    18   1    -0.04   0.03  -0.27    -0.07   0.04  -0.15     0.19  -0.11  -0.02
    19   1    -0.04   0.01  -0.27    -0.03  -0.03   0.23     0.20   0.14   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    277.2021               290.0679               343.3586
 Red. masses --      1.1310                 1.0536                 3.7616
 Frc consts  --      0.0512                 0.0522                 0.2613
 IR Inten    --     61.2226                45.2618                19.5794
 RamAct Fr= 1--      0.3432                 0.1778                 2.9030
  Dep-P Fr= 1--      0.7156                 0.6483                 0.1370
  Dep-U Fr= 1--      0.8342                 0.7866                 0.2410
 Alpha2 Fr= 1--      0.0002                 0.0003                 0.0464
 Beta2  Fr= 1--      0.0477                 0.0233                 0.1166
 AlphaG Fr= 1--      0.0019                -0.0039                -0.0199
 Gamma2 Fr= 1--      0.1783                 0.2296                -0.0179
 Delta2 Fr= 1--      0.0697                 0.1239                -0.0185
 Raman1 Fr= 1--       1.373                  0.711                 11.612
 ROA1   Fr= 1--      19.345                 26.007                 -2.307
 CID1   Fr= 1--      14.093                 36.560                 -0.199
 Raman2 Fr= 1--       0.573                  0.280                  1.399
 ROA2   Fr= 1--       3.722                  4.519                 -0.281
 CID2   Fr= 1--       6.500                 16.152                 -0.201
 Raman3 Fr= 1--       1.145                  0.560                  2.799
 ROA3   Fr= 1--      19.345                 26.007                 -2.307
 CID3   Fr= 1--      16.894                 46.478                 -0.824
 RC180  Fr= 1--       0.668                  0.573                 -0.518
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.00   0.02    -0.01  -0.03  -0.03     0.26   0.08   0.01
     2   6     0.00  -0.01   0.01    -0.00  -0.00   0.00     0.05   0.02   0.04
     3   1     0.65   0.42   0.15     0.51   0.27   0.09    -0.25  -0.32  -0.08
     4   1     0.02  -0.03   0.02    -0.01  -0.00   0.01     0.01   0.04   0.03
     5   6     0.02  -0.03   0.03     0.01  -0.01   0.00     0.22  -0.06   0.03
     6   6    -0.01   0.00  -0.03    -0.01   0.02   0.01    -0.03  -0.02   0.02
     7   1     0.25  -0.25   0.15    -0.33   0.26  -0.16     0.24   0.03  -0.00
     8   1    -0.19   0.11   0.27     0.34  -0.16  -0.29     0.47  -0.03  -0.04
     9   1     0.00   0.04  -0.28     0.03  -0.14   0.45     0.18  -0.33   0.13
    10   6    -0.02   0.00  -0.05    -0.02   0.01   0.01    -0.10  -0.03  -0.07
    11   6    -0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.11  -0.01  -0.03
    12   6    -0.01  -0.00   0.04    -0.01  -0.01   0.00    -0.14  -0.00   0.09
    13   6    -0.02   0.01  -0.01     0.00  -0.00  -0.01    -0.13   0.02  -0.01
    14   6    -0.02   0.01  -0.04     0.00   0.01   0.00    -0.11   0.02  -0.08
    15   1    -0.02   0.01  -0.06    -0.02   0.02  -0.00    -0.11  -0.01  -0.12
    16   1    -0.01   0.00   0.01    -0.03  -0.01   0.02    -0.08   0.01  -0.06
    17   1    -0.01  -0.01   0.09    -0.01  -0.02   0.00    -0.13  -0.00   0.20
    18   1    -0.02   0.00   0.00     0.01  -0.01  -0.02    -0.11   0.01  -0.04
    19   1    -0.02   0.00  -0.04     0.02   0.02   0.01    -0.18  -0.00  -0.16
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.8326               413.9251               473.9878
 Red. masses --      3.0517                 2.9294                 3.6112
 Frc consts  --      0.2831                 0.2957                 0.4780
 IR Inten    --      1.1056                 0.0975                10.5469
 RamAct Fr= 1--      0.5567                 0.0322                 1.1593
  Dep-P Fr= 1--      0.7175                 0.3918                 0.6402
  Dep-U Fr= 1--      0.8355                 0.5630                 0.7807
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.0023
 Beta2  Fr= 1--      0.0775                 0.0030                 0.1508
 AlphaG Fr= 1--      0.0025                 0.0036                 0.0018
 Gamma2 Fr= 1--     -0.6012                 0.2331                 0.3789
 Delta2 Fr= 1--     -0.0551                 0.0309                 0.1651
 Raman1 Fr= 1--       2.227                  0.129                  4.637
 ROA1   Fr= 1--     -59.480                 23.366                 41.660
 CID1   Fr= 1--     -26.712                181.217                  8.984
 Raman2 Fr= 1--       0.930                  0.036                  1.810
 ROA2   Fr= 1--     -13.989                  5.347                  7.774
 CID2   Fr= 1--     -15.038                147.312                  4.295
 Raman3 Fr= 1--       1.860                  0.073                  3.620
 ROA3   Fr= 1--     -59.480                 23.366                 41.660
 CID3   Fr= 1--     -31.971                321.884                 11.508
 RC180  Fr= 1--       0.671                  0.126                  0.561
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.18  -0.01    -0.01   0.02  -0.00     0.17   0.03   0.06
     2   6    -0.02   0.08  -0.15    -0.01   0.01  -0.01     0.03  -0.15  -0.14
     3   1    -0.07   0.38  -0.04     0.06   0.08   0.01    -0.12   0.01  -0.02
     4   1     0.07   0.07  -0.13    -0.01   0.00  -0.01     0.05  -0.27  -0.09
     5   6     0.12  -0.03   0.06     0.00  -0.01   0.01    -0.13  -0.18   0.02
     6   6    -0.02  -0.08  -0.12    -0.00  -0.00  -0.02     0.01   0.11  -0.14
     7   1     0.08  -0.20   0.12    -0.01  -0.02   0.01    -0.38  -0.42   0.07
     8   1     0.38   0.17   0.18     0.04   0.01   0.01    -0.12  -0.08   0.14
     9   1     0.08  -0.25   0.16     0.00  -0.04   0.04    -0.08  -0.02   0.20
    10   6     0.04  -0.10   0.05     0.03  -0.03   0.21    -0.05   0.10   0.03
    11   6     0.05  -0.03   0.08    -0.01   0.02  -0.19    -0.07   0.00   0.08
    12   6    -0.02   0.03  -0.12     0.00   0.00  -0.02    -0.05  -0.01  -0.10
    13   6    -0.05  -0.02   0.05     0.02  -0.03   0.22     0.05   0.02   0.06
    14   6    -0.04  -0.10   0.10    -0.02   0.01  -0.20     0.05   0.12   0.04
    15   1     0.10  -0.14   0.12     0.06  -0.06   0.47    -0.13   0.15   0.14
    16   1     0.11  -0.02   0.19    -0.03   0.05  -0.42    -0.12  -0.04   0.20
    17   1    -0.03   0.10  -0.26     0.00   0.01  -0.05    -0.06  -0.07  -0.21
    18   1    -0.09   0.00   0.12     0.04  -0.05   0.47     0.14  -0.04   0.16
    19   1    -0.08  -0.14   0.25    -0.04   0.04  -0.41     0.10   0.13   0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    499.0162               612.8037               638.1278
 Red. masses --      3.4016                 3.0190                 6.3136
 Frc consts  --      0.4991                 0.6680                 1.5147
 IR Inten    --     11.6171                18.1886                 0.3886
 RamAct Fr= 1--      4.0581                 0.9622                 4.6057
  Dep-P Fr= 1--      0.1677                 0.7422                 0.7500
  Dep-U Fr= 1--      0.2873                 0.8520                 0.8571
 Alpha2 Fr= 1--      0.0600                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1943                 0.1366                 0.6580
 AlphaG Fr= 1--      0.0305                 0.0005                -0.0000
 Gamma2 Fr= 1--     -0.3143                -0.3549                -0.0205
 Delta2 Fr= 1--     -0.1095                 0.0011                 0.0124
 Raman1 Fr= 1--      16.232                  3.849                 18.423
 ROA1   Fr= 1--     -33.674                -34.036                 -1.569
 CID1   Fr= 1--      -2.074                 -8.843                 -0.085
 Raman2 Fr= 1--       2.332                  1.640                  7.895
 ROA2   Fr= 1--      -6.666                 -8.527                 -0.591
 CID2   Fr= 1--      -2.859                 -5.201                 -0.075
 Raman3 Fr= 1--       4.663                  3.279                 15.791
 ROA3   Fr= 1--     -33.674                -34.036                 -1.569
 CID3   Fr= 1--      -7.221                -10.379                 -0.099
 RC180  Fr= 1--      -0.425                  0.704                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.16   0.02     0.07  -0.02  -0.01    -0.01  -0.01   0.01
     2   6     0.20  -0.00   0.04    -0.14   0.05   0.17     0.02  -0.00  -0.03
     3   1     0.08  -0.10   0.05     0.15  -0.28   0.06    -0.04   0.03  -0.01
     4   1     0.37   0.03   0.07    -0.10   0.11   0.16     0.03  -0.02  -0.02
     5   6     0.09   0.17  -0.02    -0.01  -0.01   0.01     0.00  -0.02  -0.01
     6   6     0.07   0.00  -0.18    -0.14   0.01  -0.11     0.01  -0.14  -0.00
     7   1     0.09   0.30  -0.07     0.27   0.23  -0.04    -0.03  -0.05  -0.00
     8   1    -0.18  -0.01  -0.12     0.05  -0.11  -0.12     0.01  -0.01   0.01
     9   1     0.13   0.43  -0.12    -0.07  -0.26  -0.16     0.01  -0.01   0.02
    10   6    -0.04  -0.07   0.00    -0.03   0.07  -0.08    -0.24  -0.21   0.02
    11   6    -0.05  -0.05   0.08     0.02   0.08   0.11    -0.24   0.24   0.03
    12   6    -0.15   0.02  -0.10     0.12   0.02  -0.14    -0.01   0.14   0.04
    13   6    -0.05   0.05   0.09     0.03  -0.07   0.08     0.26   0.23  -0.01
    14   6    -0.03   0.05   0.01    -0.00  -0.09  -0.09     0.22  -0.21  -0.03
    15   1    -0.10  -0.03   0.18     0.11  -0.02   0.12    -0.11  -0.29  -0.04
    16   1     0.04  -0.03   0.24    -0.04   0.00   0.42    -0.09   0.33  -0.03
    17   1    -0.16   0.03  -0.15     0.12  -0.01  -0.07    -0.03  -0.28  -0.03
    18   1     0.02  -0.01   0.26    -0.04  -0.04   0.39     0.13   0.32  -0.05
    19   1    -0.11  -0.02   0.19     0.11  -0.06   0.13     0.07  -0.29  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.5879               750.8529               792.4071
 Red. masses --      1.7856                 3.0320                 2.0928
 Frc consts  --      0.5342                 1.0071                 0.7742
 IR Inten    --     41.6492                22.1313                 9.8022
 RamAct Fr= 1--      0.0447                11.2555                 5.6631
  Dep-P Fr= 1--      0.4502                 0.0757                 0.2123
  Dep-U Fr= 1--      0.6209                 0.1407                 0.3502
 Alpha2 Fr= 1--      0.0003                 0.2091                 0.0744
 Beta2  Fr= 1--      0.0046                 0.2639                 0.3305
 AlphaG Fr= 1--      0.0004                 0.0312                -0.0043
 Gamma2 Fr= 1--     -0.0363                -0.3692                -0.6881
 Delta2 Fr= 1--      0.0070                -0.1224                -0.0458
 Raman1 Fr= 1--       0.179                 45.022                 22.652
 ROA1   Fr= 1--      -3.265                -39.364                -67.523
 CID1   Fr= 1--     -18.256                 -0.874                 -2.981
 Raman2 Fr= 1--       0.056                  3.167                  3.966
 ROA2   Fr= 1--      -0.928                 -7.882                -16.148
 CID2   Fr= 1--     -16.721                 -2.489                 -4.071
 Raman3 Fr= 1--       0.111                  6.334                  7.933
 ROA3   Fr= 1--      -3.265                -39.364                -67.523
 CID3   Fr= 1--     -29.402                 -6.215                 -8.512
 RC180  Fr= 1--       0.242                 -0.719                 -0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.07   0.04    -0.01  -0.02   0.02
     2   6    -0.00  -0.00   0.00     0.08  -0.03  -0.08     0.07  -0.04  -0.09
     3   1    -0.00  -0.03  -0.00    -0.02   0.04   0.01    -0.10   0.14  -0.03
     4   1     0.04   0.01   0.01     0.17  -0.10  -0.04    -0.08  -0.11  -0.09
     5   6    -0.00  -0.00  -0.00     0.07   0.08  -0.00     0.05   0.05  -0.02
     6   6    -0.02   0.01  -0.10    -0.11   0.02  -0.09    -0.00  -0.02   0.20
     7   1     0.02   0.02  -0.00    -0.06  -0.02   0.01    -0.19  -0.16   0.02
     8   1    -0.00  -0.01  -0.01     0.01   0.12   0.06     0.02   0.15   0.11
     9   1    -0.00  -0.01  -0.00     0.11   0.25   0.07     0.11   0.26   0.15
    10   6     0.00   0.01   0.08    -0.04   0.13   0.09    -0.03   0.05  -0.06
    11   6    -0.02   0.03  -0.14    -0.05   0.15   0.02    -0.03   0.06   0.01
    12   6     0.02  -0.01   0.07     0.15  -0.02   0.07     0.04   0.01  -0.12
    13   6    -0.02   0.00  -0.14    -0.07  -0.14  -0.02    -0.03  -0.06   0.00
    14   6     0.00  -0.02   0.07    -0.05  -0.13   0.06    -0.03  -0.04  -0.07
    15   1     0.06  -0.05   0.51     0.03   0.10  -0.14     0.00   0.03   0.00
    16   1    -0.00  -0.02   0.22    -0.29   0.10  -0.40    -0.05  -0.02   0.46
    17   1     0.07  -0.07   0.56     0.10   0.03  -0.38     0.09  -0.06   0.48
    18   1     0.00  -0.03   0.20    -0.27   0.01  -0.38    -0.06  -0.06   0.42
    19   1     0.06  -0.05   0.49     0.04  -0.06  -0.10    -0.00  -0.03  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    860.7018               902.9343               932.1247
 Red. masses --      1.2471                 2.4014                 1.3999
 Frc consts  --      0.5443                 1.1535                 0.7166
 IR Inten    --      0.1088                15.6494                 2.4269
 RamAct Fr= 1--      1.3649                 1.6197                 0.5507
  Dep-P Fr= 1--      0.7499                 0.6187                 0.6741
  Dep-U Fr= 1--      0.8571                 0.7645                 0.8053
 Alpha2 Fr= 1--      0.0000                 0.0039                 0.0007
 Beta2  Fr= 1--      0.1950                 0.2064                 0.0739
 AlphaG Fr= 1--     -0.0000                -0.0012                 0.0009
 Gamma2 Fr= 1--     -0.1653                 1.4801                 0.9872
 Delta2 Fr= 1--     -0.1173                 1.2484                -0.1308
 Raman1 Fr= 1--       5.459                  6.479                  2.203
 ROA1   Fr= 1--     -19.620                182.037                 90.584
 CID1   Fr= 1--      -3.594                 28.097                 41.120
 Raman2 Fr= 1--       2.340                  2.476                  0.887
 ROA2   Fr= 1--      -3.029                 25.535                 24.739
 CID2   Fr= 1--      -1.295                 10.311                 27.891
 Raman3 Fr= 1--       4.679                  4.953                  1.774
 ROA3   Fr= 1--     -19.620                182.037                 90.584
 CID3   Fr= 1--      -4.193                 36.754                 51.062
 RC180  Fr= 1--       0.714                  0.529                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.06   0.15  -0.10     0.01  -0.01   0.01
     2   6    -0.00   0.00  -0.00     0.16  -0.03   0.09    -0.01   0.01  -0.00
     3   1    -0.01  -0.01  -0.00    -0.05   0.09  -0.09     0.03  -0.02   0.02
     4   1    -0.00   0.00   0.00     0.23   0.18   0.03     0.10   0.04   0.01
     5   6    -0.00  -0.00   0.00     0.00  -0.17   0.06    -0.02   0.00   0.01
     6   6     0.00  -0.00   0.00     0.04  -0.00   0.01    -0.01   0.01  -0.07
     7   1     0.00   0.00  -0.00    -0.04   0.20  -0.09     0.09   0.07   0.00
     8   1     0.00   0.00   0.00    -0.47  -0.59  -0.24     0.03  -0.02  -0.03
     9   1    -0.00  -0.00  -0.01     0.06   0.22  -0.13    -0.05  -0.10  -0.07
    10   6     0.01  -0.01   0.07    -0.01   0.03   0.01     0.01  -0.01   0.11
    11   6     0.01  -0.01   0.07    -0.03   0.05   0.01    -0.00   0.00  -0.02
    12   6    -0.00   0.00  -0.01     0.02   0.00  -0.01    -0.01   0.01  -0.10
    13   6    -0.01   0.01  -0.08    -0.05  -0.05   0.00     0.01   0.00   0.02
    14   6    -0.01   0.01  -0.07    -0.01  -0.04  -0.00     0.01  -0.00   0.08
    15   1    -0.05   0.06  -0.50    -0.03   0.05  -0.03    -0.05   0.07  -0.58
    16   1    -0.04   0.05  -0.47    -0.08   0.03   0.01     0.01  -0.02   0.11
    17   1     0.00  -0.00   0.05     0.03   0.01   0.05     0.06  -0.07   0.59
    18   1     0.05  -0.06   0.52    -0.11  -0.01   0.02    -0.00   0.02  -0.14
    19   1     0.05  -0.04   0.45    -0.03  -0.04  -0.03    -0.05   0.05  -0.43
                     19                     20                     21
                      A                      A                      A
 Frequencies --    969.7824               983.3983              1023.4296
 Red. masses --      1.3342                 1.2569                 2.5037
 Frc consts  --      0.7393                 0.7162                 1.5450
 IR Inten    --      0.0462                 0.3964                21.0657
 RamAct Fr= 1--      0.0137                 0.0372                42.5236
  Dep-P Fr= 1--      0.4696                 0.6989                 0.0713
  Dep-U Fr= 1--      0.6391                 0.8228                 0.1331
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.7983
 Beta2  Fr= 1--      0.0015                 0.0051                 0.9430
 AlphaG Fr= 1--     -0.0015                 0.0001                 0.1794
 Gamma2 Fr= 1--      0.0406                -0.1392                -2.2012
 Delta2 Fr= 1--     -0.0177                 0.0745                -0.8080
 Raman1 Fr= 1--       0.055                  0.149                170.094
 ROA1   Fr= 1--       3.334                -10.981               -237.166
 CID1   Fr= 1--      60.695                -73.787                 -1.394
 Raman2 Fr= 1--       0.018                  0.061                 11.316
 ROA2   Fr= 1--       1.116                 -3.938                -46.364
 CID2   Fr= 1--      63.605                -64.320                 -4.097
 Raman3 Fr= 1--       0.035                  0.122                 22.632
 ROA3   Fr= 1--       3.334                -10.981               -237.166
 CID3   Fr= 1--      94.974                -89.681                -10.479
 RC180  Fr= 1--       0.278                  0.646                 -0.734
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.07  -0.05
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.09   0.10
     3   1    -0.01   0.00  -0.00     0.01   0.01   0.00     0.12  -0.26   0.04
     4   1    -0.01   0.00  -0.00     0.03   0.01  -0.00    -0.30  -0.31   0.11
     5   6     0.00  -0.00   0.00    -0.01  -0.00   0.01     0.11   0.02  -0.04
     6   6     0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.06   0.01  -0.05
     7   1    -0.01   0.00  -0.00     0.03   0.03   0.00    -0.29  -0.19  -0.02
     8   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.01    -0.12   0.09   0.14
     9   1     0.00   0.01  -0.01    -0.01  -0.03  -0.02     0.23   0.46   0.22
    10   6     0.01  -0.01   0.08     0.00   0.00   0.01    -0.09  -0.15   0.02
    11   6    -0.01   0.01  -0.11    -0.00   0.00  -0.03     0.02  -0.04  -0.01
    12   6     0.00  -0.00   0.05     0.01  -0.01   0.06     0.16  -0.01  -0.02
    13   6     0.00  -0.01   0.04    -0.01   0.01  -0.10     0.02   0.04  -0.00
    14   6    -0.01   0.01  -0.08     0.01  -0.01   0.08    -0.07   0.13   0.04
    15   1    -0.05   0.05  -0.48    -0.01   0.02  -0.11    -0.08  -0.15  -0.11
    16   1     0.07  -0.07   0.64     0.02  -0.03   0.27     0.03  -0.04  -0.00
    17   1    -0.03   0.04  -0.34    -0.04   0.04  -0.42     0.17  -0.01   0.01
    18   1    -0.02   0.02  -0.18     0.06  -0.07   0.64     0.02   0.05   0.01
    19   1     0.05  -0.04   0.39    -0.07   0.05  -0.53    -0.09   0.15  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.8371              1055.5359              1080.2475
 Red. masses --      2.9917                 2.2297                 2.4730
 Frc consts  --      1.8585                 1.4637                 1.7003
 IR Inten    --     10.5173                17.2428                30.4845
 RamAct Fr= 1--     12.2849                20.6119                 3.6869
  Dep-P Fr= 1--      0.0536                 0.0492                 0.5582
  Dep-U Fr= 1--      0.1018                 0.0938                 0.7165
 Alpha2 Fr= 1--      0.2406                 0.4079                 0.0134
 Beta2  Fr= 1--      0.2085                 0.3224                 0.4403
 AlphaG Fr= 1--     -0.0369                -0.0384                -0.0243
 Gamma2 Fr= 1--      0.9174                 0.5326                -0.0908
 Delta2 Fr= 1--      0.5885                 0.3412                -0.3168
 Raman1 Fr= 1--      49.140                 82.448                 14.747
 ROA1   Fr= 1--     106.905                 62.049                -18.854
 CID1   Fr= 1--       2.176                  0.753                 -1.278
 Raman2 Fr= 1--       2.502                  3.869                  5.283
 ROA2   Fr= 1--      17.310                 10.053                  0.355
 CID2   Fr= 1--       6.919                  2.599                  0.067
 Raman3 Fr= 1--       5.003                  7.737                 10.567
 ROA3   Fr= 1--     106.905                 62.049                -18.854
 CID3   Fr= 1--      21.367                  8.020                 -1.784
 RC180  Fr= 1--      -0.796                 -0.812                  0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.05   0.03     0.02  -0.03   0.02     0.03  -0.07   0.05
     2   6     0.05   0.05  -0.09    -0.00   0.01  -0.06     0.01   0.24  -0.01
     3   1    -0.11   0.23  -0.05    -0.10   0.19  -0.05     0.03  -0.06   0.06
     4   1     0.29   0.25  -0.10     0.04   0.13  -0.08    -0.11   0.18  -0.01
     5   6    -0.09  -0.00   0.04     0.01  -0.01   0.04     0.01  -0.11  -0.06
     6   6     0.06  -0.02   0.05    -0.04  -0.01   0.02     0.01   0.08  -0.01
     7   1     0.29   0.21   0.02     0.09   0.18  -0.01    -0.32  -0.26  -0.06
     8   1     0.12  -0.08  -0.13    -0.07  -0.14  -0.08    -0.20  -0.10   0.03
     9   1    -0.20  -0.42  -0.20    -0.00   0.01  -0.08     0.06   0.13   0.08
    10   6    -0.11  -0.17  -0.03    -0.04   0.07   0.01    -0.10  -0.07   0.00
    11   6    -0.03   0.08   0.01     0.02  -0.18  -0.02     0.05  -0.06  -0.01
    12   6     0.19  -0.02  -0.02     0.13  -0.02  -0.01     0.03   0.08   0.01
    13   6    -0.04  -0.07  -0.00     0.04   0.19   0.02    -0.06  -0.05  -0.00
    14   6    -0.09   0.21   0.01    -0.05  -0.05  -0.01     0.06  -0.06  -0.00
    15   1    -0.04  -0.22   0.07    -0.28   0.21   0.08    -0.33   0.07   0.04
    16   1    -0.03   0.08   0.01    -0.30  -0.36  -0.01     0.23   0.02  -0.02
    17   1     0.19  -0.04  -0.05     0.14  -0.05  -0.02     0.05   0.48   0.05
    18   1     0.00  -0.09  -0.01    -0.24   0.39   0.05    -0.26   0.07   0.04
    19   1    -0.05   0.22   0.11    -0.34  -0.20   0.05     0.29   0.06  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1087.6397              1130.7087              1185.6749
 Red. masses --      1.7013                 1.8254                 1.1184
 Frc consts  --      1.1858                 1.3750                 0.9264
 IR Inten    --     31.8936                 7.0848                 0.0607
 RamAct Fr= 1--      1.2043                 0.7607                 3.9497
  Dep-P Fr= 1--      0.2742                 0.7475                 0.7325
  Dep-U Fr= 1--      0.4304                 0.8555                 0.8456
 Alpha2 Fr= 1--      0.0133                 0.0000                 0.0012
 Beta2  Fr= 1--      0.0864                 0.1085                 0.5566
 AlphaG Fr= 1--     -0.0207                 0.0008                -0.0035
 Gamma2 Fr= 1--      0.0708                 0.5829                -0.0398
 Delta2 Fr= 1--      0.2192                 0.1173                -0.1478
 Raman1 Fr= 1--       4.817                  3.043                 15.799
 ROA1   Fr= 1--      13.811                 59.714                 -8.553
 CID1   Fr= 1--       2.867                 19.624                 -0.541
 Raman2 Fr= 1--       1.037                  1.302                  6.680
 ROA2   Fr= 1--      -0.054                 13.052                  0.226
 CID2   Fr= 1--      -0.052                 10.028                  0.034
 Raman3 Fr= 1--       2.074                  2.603                 13.359
 ROA3   Fr= 1--      13.811                 59.714                 -8.553
 CID3   Fr= 1--       6.661                 22.939                 -0.640
 RC180  Fr= 1--      -0.139                  0.711                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.03   0.03     0.01  -0.04   0.04     0.00   0.00  -0.00
     2   6    -0.10  -0.03  -0.10    -0.01   0.18  -0.00    -0.01  -0.01  -0.00
     3   1    -0.18   0.33  -0.09     0.03  -0.03   0.04    -0.01   0.01  -0.00
     4   1    -0.23   0.13  -0.17    -0.09   0.18  -0.02    -0.04  -0.01  -0.01
     5   6     0.09  -0.00   0.10     0.02  -0.08  -0.04     0.00   0.00   0.01
     6   6    -0.11   0.00   0.01     0.00  -0.02  -0.01     0.01   0.00  -0.00
     7   1     0.06   0.39  -0.05    -0.26  -0.18  -0.05     0.01   0.02   0.00
     8   1    -0.26  -0.31  -0.13    -0.18  -0.09   0.02    -0.00  -0.01  -0.01
     9   1     0.14   0.36  -0.10     0.08   0.18   0.06     0.00   0.01  -0.01
    10   6     0.00  -0.03  -0.01     0.09   0.00  -0.01     0.01  -0.01  -0.00
    11   6     0.04   0.00  -0.00    -0.04   0.05   0.01    -0.04  -0.02   0.00
    12   6    -0.05   0.01   0.01    -0.00  -0.06  -0.01     0.01   0.07   0.01
    13   6     0.03  -0.01  -0.01     0.04   0.03   0.00     0.04  -0.03  -0.01
    14   6     0.02   0.03   0.00    -0.09   0.02   0.01    -0.01  -0.01  -0.00
    15   1     0.13  -0.11  -0.01     0.38  -0.17  -0.06     0.10  -0.07  -0.02
    16   1     0.22   0.09  -0.02    -0.17  -0.01   0.01    -0.42  -0.21   0.02
    17   1    -0.05   0.03   0.01    -0.03  -0.46  -0.05     0.04   0.66   0.07
    18   1     0.18  -0.11  -0.03     0.22  -0.08  -0.04     0.42  -0.27  -0.07
    19   1     0.20   0.13  -0.02    -0.44  -0.15   0.02    -0.21  -0.11   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1209.9564              1224.4277              1266.8272
 Red. masses --      1.1444                 2.1628                 1.4704
 Frc consts  --      0.9872                 1.9105                 1.3904
 IR Inten    --      2.2186                 9.1259                11.3267
 RamAct Fr= 1--      6.1241                14.3668                 7.1916
  Dep-P Fr= 1--      0.4765                 0.0815                 0.1365
  Dep-U Fr= 1--      0.6454                 0.1507                 0.2402
 Alpha2 Fr= 1--      0.0336                 0.2631                 0.1150
 Beta2  Fr= 1--      0.6588                 0.3608                 0.2879
 AlphaG Fr= 1--      0.0005                -0.0140                 0.1228
 Gamma2 Fr= 1--      0.3385                 0.6999                -0.7311
 Delta2 Fr= 1--      0.1470                 0.1134                -0.1721
 Raman1 Fr= 1--      24.497                 57.467                 28.766
 ROA1   Fr= 1--      37.205                 70.815                -75.695
 CID1   Fr= 1--       1.519                  1.232                 -2.631
 Raman2 Fr= 1--       7.905                  4.329                  3.454
 ROA2   Fr= 1--       6.949                 15.890                -16.171
 CID2   Fr= 1--       0.879                  3.670                 -4.681
 Raman3 Fr= 1--      15.811                  8.658                  6.909
 ROA3   Fr= 1--      37.205                 70.815                -75.695
 CID3   Fr= 1--       2.353                  8.179                -10.957
 RC180  Fr= 1--       0.291                 -0.699                 -0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.02  -0.01   0.01     0.02  -0.03  -0.02
     2   6     0.02   0.01  -0.00    -0.11  -0.03   0.02     0.09  -0.04   0.13
     3   1     0.02  -0.04   0.01    -0.10   0.19  -0.06    -0.34   0.62  -0.23
     4   1     0.09   0.01   0.01    -0.69  -0.02  -0.10    -0.33   0.41  -0.09
     5   6    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.03   0.01  -0.07
     6   6    -0.04  -0.01   0.01     0.24   0.04  -0.07    -0.06  -0.00  -0.04
     7   1    -0.01  -0.03   0.00     0.02   0.16  -0.01    -0.01  -0.19   0.02
     8   1     0.01   0.00  -0.00    -0.05  -0.04  -0.00     0.10   0.16   0.07
     9   1     0.00   0.02   0.00     0.02   0.07  -0.02    -0.02  -0.08   0.14
    10   6     0.05  -0.03  -0.01     0.06  -0.03  -0.00    -0.01   0.01   0.01
    11   6    -0.04  -0.03   0.00    -0.08   0.04   0.02     0.02  -0.01  -0.00
    12   6    -0.01   0.00   0.00     0.02   0.01  -0.00    -0.00  -0.01  -0.00
    13   6    -0.03   0.03   0.01    -0.07  -0.06   0.00     0.01   0.01   0.00
    14   6     0.04   0.03  -0.00     0.04  -0.01   0.00    -0.00   0.00   0.01
    15   1     0.46  -0.29  -0.08    -0.10   0.07  -0.00     0.05  -0.03  -0.05
    16   1    -0.45  -0.24   0.02    -0.27  -0.05   0.01     0.03  -0.00  -0.01
    17   1    -0.01   0.05   0.01     0.01  -0.07  -0.01    -0.00   0.02   0.00
    18   1    -0.31   0.22   0.06    -0.42   0.16   0.05     0.06  -0.02  -0.01
    19   1     0.46   0.25  -0.03    -0.11  -0.09  -0.02     0.04   0.03  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1325.7470              1356.6881              1373.5091
 Red. masses --      2.9171                 1.9555                 1.3740
 Frc consts  --      3.0208                 2.1206                 1.5272
 IR Inten    --      7.1212                 6.3985                15.6727
 RamAct Fr= 1--      3.5007                 0.5380                 4.1040
  Dep-P Fr= 1--      0.0879                 0.6886                 0.3952
  Dep-U Fr= 1--      0.1617                 0.8156                 0.5665
 Alpha2 Fr= 1--      0.0631                 0.0006                 0.0309
 Beta2  Fr= 1--      0.0943                 0.0731                 0.3875
 AlphaG Fr= 1--     -0.0376                 0.0056                -0.0034
 Gamma2 Fr= 1--      0.7486                 1.3869                -2.0867
 Delta2 Fr= 1--     -0.1122                -0.6006                -0.1844
 Raman1 Fr= 1--      14.003                  2.152                 16.416
 ROA1   Fr= 1--      68.279                113.921               -206.222
 CID1   Fr= 1--       4.876                 52.937                -12.562
 Raman2 Fr= 1--       1.132                  0.878                  4.650
 ROA2   Fr= 1--      18.865                 38.090                -48.605
 CID2   Fr= 1--      16.667                 43.405                -10.453
 Raman3 Fr= 1--       2.264                  1.755                  9.300
 ROA3   Fr= 1--      68.279                113.921               -206.222
 CID3   Fr= 1--      30.162                 64.909                -22.174
 RC180  Fr= 1--      -0.677                  0.631                  0.133
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
     2   6     0.13  -0.00  -0.02    -0.07  -0.03   0.02    -0.11  -0.06   0.02
     3   1     0.01  -0.03  -0.00    -0.05   0.08  -0.03    -0.06   0.11  -0.04
     4   1    -0.32  -0.38   0.01     0.40   0.29   0.01     0.57   0.34   0.03
     5   6    -0.07   0.01   0.04     0.03   0.00  -0.03     0.02  -0.03  -0.04
     6   6    -0.06   0.26   0.03     0.02   0.02   0.01     0.03   0.07   0.02
     7   1     0.19   0.06   0.06    -0.10  -0.05  -0.03    -0.03   0.04  -0.06
     8   1     0.14  -0.05  -0.11    -0.08   0.06   0.08     0.02   0.15   0.14
     9   1    -0.10  -0.10  -0.08     0.04   0.00   0.07     0.08   0.18   0.10
    10   6     0.06  -0.08  -0.01     0.13  -0.06  -0.02    -0.02   0.01   0.00
    11   6    -0.10  -0.10  -0.00    -0.08  -0.03   0.00    -0.03  -0.02   0.00
    12   6     0.01   0.10   0.01     0.01   0.14   0.01    -0.00  -0.03  -0.00
    13   6     0.12  -0.07  -0.02     0.07  -0.04  -0.01     0.02  -0.03  -0.01
    14   6    -0.10  -0.08   0.00    -0.14  -0.04   0.01     0.04   0.01  -0.01
    15   1     0.32  -0.25  -0.06    -0.43   0.29   0.08     0.26  -0.17  -0.04
    16   1     0.39   0.14  -0.02    -0.12  -0.05   0.01     0.21   0.10  -0.01
    17   1    -0.00  -0.08  -0.01    -0.01  -0.29  -0.03     0.01   0.21   0.02
    18   1    -0.22   0.15   0.04     0.12  -0.06  -0.01    -0.26   0.15   0.04
    19   1    -0.19  -0.13   0.01     0.41   0.24  -0.02    -0.31  -0.17   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.3434              1410.6040              1486.5301
 Red. masses --      1.1950                 1.2382                 2.1007
 Frc consts  --      1.3945                 1.4516                 2.7350
 IR Inten    --     32.1707                30.7261                11.0043
 RamAct Fr= 1--      3.1396                 2.8758                 1.7111
  Dep-P Fr= 1--      0.7498                 0.7500                 0.6068
  Dep-U Fr= 1--      0.8570                 0.8571                 0.7553
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0045
 Beta2  Fr= 1--      0.4485                 0.4108                 0.2154
 AlphaG Fr= 1--      0.0004                -0.0001                 0.0152
 Gamma2 Fr= 1--      0.5472                 0.4810                 0.3691
 Delta2 Fr= 1--     -0.5365                 0.4826                -0.1060
 Raman1 Fr= 1--      12.558                 11.503                  6.844
 ROA1   Fr= 1--      35.365                 61.623                 32.038
 CID1   Fr= 1--       2.816                  5.357                  4.681
 Raman2 Fr= 1--       5.381                  4.930                  2.585
 ROA2   Fr= 1--      17.426                  7.684                  9.706
 CID2   Fr= 1--       3.238                  1.559                  3.755
 Raman3 Fr= 1--      10.763                  9.860                  5.170
 ROA3   Fr= 1--      35.365                 61.623                 32.038
 CID3   Fr= 1--       3.286                  6.250                  6.197
 RC180  Fr= 1--       0.714                  0.714                  0.511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02   0.04    -0.02   0.02   0.04    -0.00  -0.00  -0.00
     2   6     0.04  -0.03  -0.03     0.01  -0.07  -0.03     0.03   0.04   0.01
     3   1     0.19  -0.33   0.15     0.18  -0.29   0.14    -0.01  -0.00  -0.00
     4   1    -0.23   0.47  -0.25    -0.15   0.53  -0.26    -0.14  -0.09   0.01
     5   6    -0.06  -0.08  -0.02     0.05   0.09   0.01     0.00  -0.02   0.01
     6   6    -0.00  -0.00  -0.01    -0.01   0.01  -0.00    -0.02  -0.15  -0.02
     7   1     0.26   0.22  -0.06    -0.21  -0.34   0.11    -0.15   0.13  -0.08
     8   1     0.36   0.20   0.11    -0.23  -0.22  -0.22     0.05   0.08   0.11
     9   1     0.06   0.41   0.04    -0.05  -0.35  -0.05    -0.01  -0.01  -0.16
    10   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.09   0.05  -0.00
    11   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00    -0.14   0.01   0.01
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.12  -0.01
    13   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.13  -0.00  -0.01
    14   6    -0.01  -0.00   0.00     0.00   0.01   0.00    -0.08   0.06   0.02
    15   1    -0.05   0.03   0.01     0.06  -0.03  -0.01    -0.10   0.19   0.03
    16   1    -0.01  -0.01  -0.00     0.07   0.04  -0.00     0.32   0.26  -0.00
    17   1     0.00  -0.03  -0.00     0.00   0.08   0.01     0.04   0.60   0.06
    18   1     0.04  -0.02  -0.01    -0.07   0.05   0.01    -0.28   0.28   0.06
    19   1     0.04   0.02  -0.00    -0.05  -0.02   0.00     0.10   0.17   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1496.5011              1497.8098              1534.4018
 Red. masses --      1.0739                 1.0560                 2.1825
 Frc consts  --      1.4171                 1.3958                 3.0275
 IR Inten    --      3.5379                 8.0368                 8.1864
 RamAct Fr= 1--      4.0535                 4.4674                 0.2456
  Dep-P Fr= 1--      0.7090                 0.6183                 0.6549
  Dep-U Fr= 1--      0.8297                 0.7642                 0.7915
 Alpha2 Fr= 1--      0.0029                 0.0108                 0.0004
 Beta2  Fr= 1--      0.5605                 0.5690                 0.0324
 AlphaG Fr= 1--     -0.0017                -0.0072                 0.0002
 Gamma2 Fr= 1--     -2.3688                 0.0405                 0.3536
 Delta2 Fr= 1--     -0.2083                 0.6668                -0.1096
 Raman1 Fr= 1--      16.214                 17.869                  0.982
 ROA1   Fr= 1--    -234.071                 25.226                 30.441
 CID1   Fr= 1--     -14.436                  1.412                 30.992
 Raman2 Fr= 1--       6.727                  6.828                  0.389
 ROA2   Fr= 1--     -55.184                 -4.363                  9.364
 CID2   Fr= 1--      -8.204                 -0.639                 24.090
 Raman3 Fr= 1--      13.453                 13.655                  0.777
 ROA3   Fr= 1--    -234.071                 25.226                 30.441
 CID3   Fr= 1--     -17.399                  1.847                 39.158
 RC180  Fr= 1--       0.659                  0.528                  0.583
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00  -0.00
     2   6    -0.02   0.02  -0.01    -0.03   0.01   0.02    -0.03  -0.00   0.00
     3   1     0.01   0.00   0.00    -0.04   0.08  -0.03     0.01   0.00   0.00
     4   1     0.01  -0.06   0.02     0.09  -0.01   0.05    -0.02   0.00  -0.00
     5   6    -0.03   0.02  -0.04    -0.02   0.02   0.04     0.00   0.00  -0.00
     6   6     0.00  -0.03  -0.00     0.01  -0.01  -0.00     0.14  -0.00  -0.01
     7   1     0.60  -0.24   0.18    -0.07  -0.43   0.17     0.01   0.02  -0.01
     8   1    -0.18  -0.22  -0.22     0.51  -0.21  -0.43    -0.05   0.00   0.02
     9   1     0.07   0.13   0.61     0.02   0.38  -0.35     0.00  -0.01   0.03
    10   6     0.02   0.00  -0.00     0.00   0.00  -0.00    -0.06   0.09   0.02
    11   6    -0.02   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.09   0.00
    12   6    -0.00  -0.02  -0.00     0.00  -0.00  -0.00     0.10  -0.03  -0.01
    13   6     0.02  -0.00  -0.00    -0.00   0.00   0.00    -0.11   0.12   0.02
    14   6    -0.01   0.01   0.00    -0.00   0.00   0.00    -0.08  -0.10  -0.00
    15   1    -0.04   0.04  -0.00    -0.02   0.02   0.01     0.41  -0.19  -0.06
    16   1     0.03   0.04   0.00     0.02   0.01  -0.00     0.43   0.18  -0.02
    17   1     0.00   0.09   0.01     0.00   0.01   0.00     0.13   0.03  -0.01
    18   1    -0.05   0.04   0.01     0.00   0.00   0.00     0.43  -0.21  -0.06
    19   1     0.01   0.02   0.00     0.02   0.01  -0.00     0.43   0.15  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1627.7043              1649.3763              3028.0905
 Red. masses --      5.4621                 5.5004                 1.0736
 Frc consts  --      8.5264                 8.8163                 5.7999
 IR Inten    --      0.8399                 1.6432                 7.1099
 RamAct Fr= 1--      7.1190                37.9091               233.8474
  Dep-P Fr= 1--      0.7439                 0.6121                 0.0827
  Dep-U Fr= 1--      0.8532                 0.7593                 0.1528
 Alpha2 Fr= 1--      0.0007                 0.0961                 4.2704
 Beta2  Fr= 1--      1.0123                 4.7977                 5.9542
 AlphaG Fr= 1--     -0.0092                 0.0018                -1.6439
 Gamma2 Fr= 1--      0.5233                 0.8390                -1.4994
 Delta2 Fr= 1--      0.2229                -0.2898                -0.9599
 Raman1 Fr= 1--      28.476                151.636                935.390
 ROA1   Fr= 1--      57.369                 71.270               -174.659
 CID1   Fr= 1--       2.015                  0.470                 -0.187
 Raman2 Fr= 1--      12.147                 57.573                 71.451
 ROA2   Fr= 1--      10.775                 22.454                -28.307
 CID2   Fr= 1--       0.887                  0.390                 -0.396
 Raman3 Fr= 1--      24.295                115.145                142.901
 ROA3   Fr= 1--      57.369                 71.270               -174.659
 CID3   Fr= 1--       2.361                  0.619                 -1.222
 RC180  Fr= 1--       0.706                  0.519                 -0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.01   0.04   0.00     0.03  -0.00  -0.00     0.01  -0.02  -0.07
     3   1     0.00  -0.01   0.00    -0.01   0.00  -0.00     0.01  -0.01  -0.01
     4   1    -0.10  -0.05   0.01     0.04  -0.01   0.01    -0.16   0.26   0.79
     5   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02   0.02
     6   6    -0.00  -0.29  -0.03    -0.21   0.03   0.03     0.00  -0.00  -0.00
     7   1    -0.00   0.01  -0.01    -0.01  -0.01   0.00     0.08  -0.15  -0.43
     8   1    -0.03  -0.00   0.01     0.00   0.00  -0.00     0.04  -0.14   0.13
     9   1     0.01   0.02   0.02    -0.00  -0.02  -0.01    -0.15   0.03   0.02
    10   6    -0.09   0.20   0.03     0.28  -0.10  -0.04    -0.00  -0.00  -0.00
    11   6    -0.09  -0.21  -0.02    -0.27  -0.06   0.02     0.00  -0.00  -0.00
    12   6     0.03   0.36   0.04     0.14  -0.00  -0.01     0.00   0.00   0.00
    13   6     0.04  -0.20  -0.03    -0.27   0.08   0.04     0.00   0.00  -0.00
    14   6     0.11   0.17   0.01     0.30   0.06  -0.02    -0.00   0.00   0.00
    15   1     0.35  -0.07  -0.04    -0.30   0.26   0.06     0.01   0.01   0.00
    16   1     0.28  -0.05  -0.03     0.25   0.21  -0.00     0.00   0.00  -0.00
    17   1    -0.01  -0.50  -0.06     0.15  -0.02  -0.02    -0.00   0.00   0.00
    18   1    -0.21  -0.06   0.01     0.24  -0.25  -0.05     0.00  -0.00  -0.00
    19   1    -0.27  -0.02   0.03    -0.32  -0.27   0.01     0.00  -0.00  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3035.0030              3097.0587              3117.3157
 Red. masses --      1.0471                 1.1002                 1.1009
 Frc consts  --      5.6825                 6.2174                 6.3032
 IR Inten    --     19.0612                28.5173                22.6329
 RamAct Fr= 1--     51.9805                44.8407                99.4524
  Dep-P Fr= 1--      0.1059                 0.4279                 0.5355
  Dep-U Fr= 1--      0.1914                 0.5994                 0.6975
 Alpha2 Fr= 1--      0.8971                 0.2997                 0.4117
 Beta2  Fr= 1--      1.6585                 4.4793                11.5605
 AlphaG Fr= 1--      0.2157                 0.8834                -0.3809
 Gamma2 Fr= 1--      1.0758                 0.8233                -2.0488
 Delta2 Fr= 1--     -0.7285                 2.2427                -2.3739
 Raman1 Fr= 1--     207.922                179.363                397.810
 ROA1   Fr= 1--      79.968                150.807               -272.653
 CID1   Fr= 1--       0.385                  0.841                 -0.685
 Raman2 Fr= 1--      19.902                 53.752                138.726
 ROA2   Fr= 1--      31.648                  1.819                -30.181
 CID2   Fr= 1--       1.590                  0.034                 -0.218
 Raman3 Fr= 1--      39.804                107.504                277.453
 ROA3   Fr= 1--      79.968                150.807               -272.653
 CID3   Fr= 1--       2.009                  1.403                 -0.983
 RC180  Fr= 1--      -0.617                  0.199                  0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.01  -0.04     0.00  -0.00  -0.01    -0.00   0.00   0.00
     3   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00   0.00  -0.00
     4   1    -0.09   0.14   0.45    -0.03   0.05   0.14     0.01  -0.02  -0.04
     5   6    -0.01  -0.04  -0.01     0.01   0.02  -0.09    -0.08   0.04   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1    -0.10   0.19   0.54    -0.11   0.22   0.59     0.02  -0.06  -0.20
     8   1    -0.13   0.37  -0.34     0.19  -0.53   0.46     0.09  -0.28   0.26
     9   1     0.39  -0.09  -0.04    -0.16   0.04  -0.00     0.87  -0.18  -0.09
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.02   0.02   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    17   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3166.9710              3175.5023              3187.0981
 Red. masses --      1.0850                 1.0881                 1.0915
 Frc consts  --      6.4116                 6.4645                 6.5322
 IR Inten    --      0.4105                 6.7096                14.9840
 RamAct Fr= 1--     41.4230               115.8633                47.1736
  Dep-P Fr= 1--      0.6900                 0.7460                 0.6508
  Dep-U Fr= 1--      0.8165                 0.8546                 0.7884
 Alpha2 Fr= 1--      0.0436                 0.0078                 0.0840
 Beta2  Fr= 1--      5.6373                16.5018                 6.1989
 AlphaG Fr= 1--     -0.0075                -0.0053                -0.0548
 Gamma2 Fr= 1--     -0.0422                 0.8996                 0.1922
 Delta2 Fr= 1--      0.1737                 0.4591                -0.9466
 Raman1 Fr= 1--     165.692                463.453                188.694
 ROA1   Fr= 1--       1.504                101.054                -11.842
 CID1   Fr= 1--       0.009                  0.218                 -0.063
 Raman2 Fr= 1--      67.647                198.022                 74.386
 ROA2   Fr= 1--      -2.404                 17.918                 12.185
 CID2   Fr= 1--      -0.036                  0.090                  0.164
 Raman3 Fr= 1--     135.294                396.044                148.773
 ROA3   Fr= 1--       1.504                101.054                -11.842
 CID3   Fr= 1--       0.011                  0.255                 -0.080
 RC180  Fr= 1--       0.633                  0.709                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.01  -0.01
     9   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    10   6     0.01   0.01   0.00     0.01   0.02   0.00    -0.01  -0.02  -0.00
    11   6     0.02  -0.04  -0.01     0.03  -0.05  -0.01    -0.01   0.03   0.00
    12   6    -0.05   0.00   0.00    -0.01   0.00   0.00    -0.06   0.00   0.01
    13   6     0.03   0.04   0.00    -0.03  -0.04  -0.00     0.00  -0.00  -0.00
    14   6     0.01  -0.02  -0.00    -0.01   0.03   0.00    -0.02   0.05   0.01
    15   1    -0.08  -0.13  -0.01    -0.13  -0.20  -0.01     0.15   0.23   0.01
    16   1    -0.23   0.45   0.07    -0.29   0.59   0.10     0.14  -0.29  -0.05
    17   1     0.57  -0.03  -0.06     0.08  -0.01  -0.01     0.63  -0.03  -0.06
    18   1    -0.31  -0.47  -0.03     0.32   0.50   0.03    -0.01   0.00   0.00
    19   1    -0.11   0.21   0.03     0.16  -0.33  -0.05     0.29  -0.56  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3194.3051              3201.2175              3776.7472
 Red. masses --      1.0945                 1.0940                 1.0660
 Frc consts  --      6.5797                 6.6051                 8.9583
 IR Inten    --     19.6470                 7.3182                18.2674
 RamAct Fr= 1--    123.5681               220.9849                59.8896
  Dep-P Fr= 1--      0.0911                 0.1003                 0.1294
  Dep-U Fr= 1--      0.1670                 0.1823                 0.2292
 Alpha2 Fr= 1--      2.2109                 3.8662                 0.9750
 Beta2  Fr= 1--      3.4393                 6.7150                 2.2875
 AlphaG Fr= 1--      0.3883                -0.0274                 0.6851
 Gamma2 Fr= 1--      3.1011                -2.7051                 5.6497
 Delta2 Fr= 1--      3.0032                -2.1071                 0.5241
 Raman1 Fr= 1--     494.272                883.939                239.558
 ROA1   Fr= 1--     393.811               -327.116                559.144
 CID1   Fr= 1--       0.797                 -0.370                  2.334
 Raman2 Fr= 1--      41.272                 80.580                 27.450
 ROA2   Fr= 1--      50.402                -48.066                131.401
 CID2   Fr= 1--       1.221                 -0.596                  4.787
 Raman3 Fr= 1--      82.544                161.160                 54.900
 ROA3   Fr= 1--     393.811               -327.116                559.144
 CID3   Fr= 1--       4.771                 -2.030                 10.185
 RC180  Fr= 1--      -0.666                 -0.635                 -0.542
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.06
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.29   0.14   0.95
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00  -0.00
     8   1    -0.00   0.01  -0.01    -0.01   0.02  -0.02    -0.00  -0.00   0.00
     9   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.02  -0.03  -0.00    -0.04  -0.06  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.01   0.00     0.02  -0.03  -0.01    -0.00  -0.00  -0.00
    12   6    -0.04   0.00   0.00     0.02   0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.04  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    14   6     0.03  -0.05  -0.01    -0.01   0.01   0.00     0.00   0.00  -0.00
    15   1     0.20   0.32   0.02     0.45   0.70   0.04    -0.00  -0.00   0.00
    16   1     0.02  -0.06  -0.01    -0.19   0.37   0.06     0.00  -0.00  -0.00
    17   1     0.42  -0.02  -0.04    -0.27   0.01   0.03     0.00  -0.00   0.00
    18   1     0.29   0.45   0.02    -0.09  -0.15  -0.01     0.00   0.00   0.00
    19   1    -0.28   0.54   0.08     0.06  -0.11  -0.02    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   521.722681532.203461968.36885
           X            0.99962   0.02743  -0.00325
           Y           -0.02740   0.99960   0.00701
           Z            0.00344  -0.00692   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16602     0.05653     0.04400
 Rotational constants (GHZ):           3.45920     1.17787     0.91687
 Zero-point vibrational energy     422754.7 (Joules/Mol)
                                  101.04079 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     38.35   209.21   316.64   398.83   417.34
          (Kelvin)            494.02   570.95   595.55   681.96   717.97
                              881.69   918.12  1025.26  1080.31  1140.10
                             1238.36  1299.12  1341.12  1395.30  1414.89
                             1472.49  1477.39  1518.68  1554.24  1564.87
                             1626.84  1705.92  1740.86  1761.68  1822.68
                             1907.45  1951.97  1976.17  2024.85  2029.54
                             2138.79  2153.13  2155.01  2207.66  2341.90
                             2373.08  4356.75  4366.69  4455.98  4485.12
                             4556.56  4568.84  4585.52  4595.89  4605.84
                             5433.90
 
 Zero-point correction=                           0.161019 (Hartree/Particle)
 Thermal correction to Energy=                    0.169366
 Thermal correction to Enthalpy=                  0.170310
 Thermal correction to Gibbs Free Energy=         0.127380
 Sum of electronic and zero-point Energies=           -386.114894
 Sum of electronic and thermal Energies=              -386.106548
 Sum of electronic and thermal Enthalpies=            -386.105603
 Sum of electronic and thermal Free Energies=         -386.148533
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.278             32.215             90.353
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.844
 Vibrational            104.501             26.253             21.196
 Vibration     1          0.593              1.984              6.064
 Vibration     2          0.617              1.908              2.731
 Vibration     3          0.647              1.811              1.958
 Vibration     4          0.678              1.716              1.551
 Vibration     5          0.686              1.692              1.474
 Vibration     6          0.722              1.589              1.196
 Vibration     7          0.763              1.477              0.974
 Vibration     8          0.778              1.440              0.913
 Vibration     9          0.831              1.308              0.726
 Vibration    10          0.854              1.252              0.661
 Vibration    11          0.972              1.005              0.428
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256598D-58        -58.590747       -134.910180
 Total V=0       0.296941D+16         15.472671         35.627140
 Vib (Bot)       0.107793D-71        -71.967408       -165.711081
 Vib (Bot)    1  0.776928D+01          0.890381          2.050177
 Vib (Bot)    2  0.139628D+01          0.144973          0.333813
 Vib (Bot)    3  0.898764D+00         -0.046354         -0.106735
 Vib (Bot)    4  0.694599D+00         -0.158266         -0.364421
 Vib (Bot)    5  0.659246D+00         -0.180953         -0.416659
 Vib (Bot)    6  0.539638D+00         -0.267898         -0.616857
 Vib (Bot)    7  0.450186D+00         -0.346608         -0.798095
 Vib (Bot)    8  0.426166D+00         -0.370421         -0.852925
 Vib (Bot)    9  0.354664D+00         -0.450183         -1.036585
 Vib (Bot)   10  0.329641D+00         -0.481959         -1.109751
 Vib (Bot)   11  0.240452D+00         -0.618971         -1.425234
 Vib (V=0)       0.124741D+03          2.096009          4.826240
 Vib (V=0)    1  0.828535D+01          0.918311          2.114489
 Vib (V=0)    2  0.198311D+01          0.297346          0.684664
 Vib (V=0)    3  0.152848D+01          0.184261          0.424276
 Vib (V=0)    4  0.135584D+01          0.132209          0.304423
 Vib (V=0)    5  0.132741D+01          0.123005          0.283229
 Vib (V=0)    6  0.123567D+01          0.091902          0.211613
 Vib (V=0)    7  0.117281D+01          0.069226          0.159399
 Vib (V=0)    8  0.115698D+01          0.063324          0.145810
 Vib (V=0)    9  0.111301D+01          0.046501          0.107072
 Vib (V=0)   10  0.109889D+01          0.040952          0.094296
 Vib (V=0)   11  0.105481D+01          0.023175          0.053363
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.449032D+06          5.652277         13.014849
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3               3333333 33                                             11 1111111111111111111                                  
      7               2111110 00                                             66 54444433322211000009999 8 77 7 66   4443 322 2  1    
      7               0987619 32                                             42 39981075262183885228730 6 95 1 31   9719 497 2  4   2
      7               1476777 58                                             98 48771747674061806733023 1 21 3 83   9447 307 0  5   7
 
      X               XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXX XX X XX X XX   XXXX XXX X  X   X
      X               XXXX XX XX                                                XX XXXXXXXX  XXXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                 XX XXXX  XX   XXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                    XXXX  X    XXX X   X    X X  X   X    XXX         
      X                XX  XX X                                                     XXX       XXX X   X    X X  X        XXX         
      X                X   XX X                                                     XX        XXX X        X X  X        XXX         
                           XX                                                       XX        XX  X        X X            XX         
                            X                                                       XX        XX             X            XX         
                            X                                                       XX        XX             X            XX         
                                                                                    XX        XX             X            XX         
                                                                                     X                       X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                                          XX         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003628    0.000002084   -0.000005617
      2        6           0.000011094   -0.000006758    0.000005180
      3        1           0.000000439    0.000001446   -0.000001157
      4        1           0.000000208   -0.000000078    0.000002417
      5        6          -0.000001972   -0.000005787   -0.000005001
      6        6          -0.000002105    0.000037070    0.000004691
      7        1          -0.000000140    0.000000737    0.000001431
      8        1          -0.000000886    0.000000994    0.000000070
      9        1           0.000001112    0.000000549    0.000000635
     10        6           0.000014776   -0.000014667   -0.000003090
     11        6          -0.000019276   -0.000008097    0.000000300
     12        6           0.000001082    0.000019475    0.000002809
     13        6           0.000017413   -0.000013696   -0.000002984
     14        6          -0.000018375   -0.000015751   -0.000002376
     15        1          -0.000000477    0.000000594    0.000000408
     16        1           0.000000311    0.000000545    0.000000728
     17        1          -0.000000831   -0.000000636   -0.000000241
     18        1          -0.000001178    0.000001198   -0.000000073
     19        1           0.000002430    0.000000777    0.000001872
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037070 RMS     0.000008480
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126712D+03  0.124953D+01 -0.292046D+01
      2   0.124953D+01  0.105367D+03  0.276328D+01
      3  -0.292046D+01  0.276328D+01  0.686116D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.116432D+01 -0.379310D+01 -0.578843D+01
      2   0.124876D+02 -0.693974D+01  0.394131D+01
      3   0.112768D+02  0.393974D+02  0.673231D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.919673D+02 -0.853823D+01  0.106635D+02
      2   0.417887D+02  0.227163D+02 -0.456475D+01
      3   0.501786D+02 -0.141780D+02 -0.609871D+01
      4   0.224033D+02 -0.700262D+02 -0.167226D+02
      5   0.650159D+01 -0.169278D+02  0.104852D+02
      6  -0.572198D+01 -0.264493D+01  0.125012D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.429752D+01 -0.248780D+01  0.102341D+01 -0.477338D+01  0.333815D+01
      2  -0.248780D+01  0.206071D+01 -0.861979D+00  0.333815D+01 -0.469027D+01
      3   0.102341D+01 -0.861979D+00  0.155314D+01 -0.617973D+00  0.137610D+01
                 6             7             8             9            10 
      1  -0.617973D+00 -0.216307D+00 -0.666152D+00  0.128225D+01 -0.410993D+01
      2   0.137610D+01 -0.666152D+00  0.385380D+00 -0.104261D+01  0.938116D+00
      3  -0.639420D+00  0.128225D+01 -0.104261D+01 -0.473642D+01  0.892510D+00
                11            12            13            14            15 
      1   0.938116D+00  0.892510D+00  0.261942D+01 -0.429390D+01  0.236011D+00
      2  -0.226801D+01  0.363977D+00 -0.429390D+01  0.346766D+00 -0.822815D+00
      3   0.363977D+00 -0.818763D+00  0.236011D+00 -0.822815D+00  0.204511D+01
                16            17            18            19            20 
      1   0.233872D+01  0.195782D+00 -0.306949D+01 -0.827374D+00  0.173083D+00
      2   0.195782D+00 -0.105161D+01  0.273065D+01  0.173083D+00 -0.218798D+00
      3  -0.306949D+01  0.273065D+01  0.624008D+01  0.266356D+00  0.305806D+00
                21            22            23            24            25 
      1   0.266356D+00  0.491027D+00  0.130848D+00  0.673315D-01  0.211607D+01
      2   0.305806D+00  0.130848D+00 -0.484007D+00  0.560425D+00 -0.513810D+00
      3  -0.144468D+01  0.673315D-01  0.560425D+00  0.368324D+00  0.630559D+00
                26            27            28            29            30 
      1  -0.513810D+00  0.630559D+00  0.212171D+01 -0.437551D+00 -0.177289D+01
      2   0.167826D+01 -0.109846D+01 -0.437551D+00  0.692604D+00  0.276458D+00
      3  -0.109846D+01  0.676524D+01 -0.177289D+01  0.276458D+00  0.136054D+01
                31            32            33            34            35 
      1  -0.185394D+01  0.161391D+01  0.504289D+00 -0.468562D+01  0.654662D+00
      2   0.161391D+01 -0.119036D+01 -0.121128D+01  0.654662D+00 -0.153020D+01
      3   0.504289D+00 -0.121128D+01 -0.176870D+01  0.287904D+01 -0.184470D+01
                36            37            38            39            40 
      1   0.287904D+01 -0.733324D+01  0.204198D+01  0.884646D+00  0.421778D+01
      2  -0.184470D+01  0.204198D+01  0.255834D+01 -0.300447D+00  0.272267D+01
      3  -0.747591D+01  0.884646D+00 -0.300447D+00  0.141486D+01 -0.288080D+00
                41            42            43            44            45 
      1   0.272267D+01 -0.288080D+00  0.612968D+00  0.112480D+00  0.567186D+00
      2  -0.570256D+00  0.160313D+01  0.112480D+00  0.178673D+01 -0.372768D+01
      3   0.160313D+01 -0.389775D+01  0.567186D+00 -0.372768D+01 -0.357703D+01
                46            47            48            49            50 
      1   0.171358D+02 -0.204600D+01 -0.822900D+00 -0.200239D+01 -0.182348D+01
      2  -0.204600D+01  0.279780D+01 -0.693228D-02 -0.182348D+01 -0.220526D+00
      3  -0.822900D+00 -0.693228D-02  0.177877D+01 -0.475423D+00  0.191050D+00
                51            52            53            54            55 
      1  -0.475423D+00 -0.492196D+00 -0.420445D+00  0.400959D+01  0.152822D+00
      2   0.191050D+00 -0.420445D+00 -0.704695D-01 -0.388661D+00  0.364188D-01
      3  -0.434376D+00  0.400959D+01 -0.388661D+00 -0.137334D+01  0.665206D+00
                56            57            58            59            60 
      1   0.364188D-01  0.665206D+00  0.168995D+00  0.133509D+00  0.109249D+00
      2  -0.571092D+00 -0.989558D-01  0.133509D+00  0.178594D+01  0.116077D+01
      3  -0.989558D-01 -0.662843D+00  0.109249D+00  0.116077D+01  0.172081D+01
                61            62            63            64            65 
      1   0.211650D+01  0.764530D+00  0.600288D+00 -0.159863D-02  0.411001D+00
      2   0.764530D+00  0.212192D+01  0.228127D+01  0.411001D+00 -0.848361D+00
      3   0.600288D+00  0.228127D+01  0.596698D+01 -0.659907D+00  0.327536D+00
                66            67            68            69            70 
      1  -0.659907D+00  0.115385D+01  0.261180D+00 -0.464974D-01 -0.167846D+01
      2   0.327536D+00  0.261180D+00  0.504722D+01 -0.245690D+01 -0.524547D+00
      3  -0.614317D+00 -0.464974D-01 -0.245690D+01  0.256947D+01  0.859412D-01
                71            72            73            74            75 
      1  -0.524547D+00  0.859412D-01  0.119408D+02  0.427051D+00 -0.748058D+00
      2  -0.306338D+01  0.252433D+01  0.427051D+00  0.109508D+01 -0.173578D-01
      3   0.252433D+01 -0.282106D+01 -0.748058D+00 -0.173578D-01  0.115454D+01
                76            77            78            79            80 
      1  -0.184319D+01  0.793660D+00  0.619015D-01 -0.990491D+00 -0.728895D-01
      2   0.793660D+00 -0.355463D+00 -0.255333D+00 -0.728895D-01 -0.448336D+00
      3   0.619015D-01 -0.255333D+00  0.847075D-04  0.120917D+01  0.373672D+00
                81            82            83            84            85 
      1   0.120917D+01 -0.552732D+01 -0.869602D+00 -0.126335D-01  0.828751D+01
      2   0.373672D+00 -0.869602D+00  0.317060D+01  0.747057D+00  0.323026D+00
      3  -0.853676D-01 -0.126335D-01  0.747057D+00  0.124975D+01 -0.122684D+00
                86            87            88            89            90 
      1   0.323026D+00 -0.122684D+00  0.166835D+01  0.860739D-01  0.167860D+01
      2   0.177268D+01 -0.580168D+00  0.860739D-01 -0.940221D+00  0.371387D+01
      3  -0.580168D+00  0.185333D+01  0.167860D+01  0.371387D+01  0.502330D+00
                91            92            93            94            95 
      1   0.390609D+01  0.150149D+00 -0.244572D+00  0.539096D+01  0.280723D-01
      2   0.150149D+00 -0.254721D+01  0.294017D+00  0.280723D-01  0.127835D+01
      3  -0.244572D+00  0.294017D+00 -0.786223D+00  0.884657D-01 -0.501650D+00
                96            97            98            99           100 
      1   0.884657D-01  0.341837D-01  0.607670D+00 -0.216423D+01 -0.592693D+01
      2  -0.501650D+00  0.607670D+00 -0.540389D+00  0.377941D+01 -0.329947D-02
      3   0.174445D+01 -0.216423D+01  0.377941D+01  0.156115D+01 -0.415829D+00
               101           102           103           104           105 
      1  -0.329947D-02 -0.415829D+00  0.519635D+00  0.463755D+00  0.565629D+00
      2  -0.329762D+01 -0.115728D+00  0.463755D+00 -0.439528D+00 -0.282250D+00
      3  -0.115728D+00 -0.216337D+01  0.565629D+00 -0.282250D+00 -0.860293D-01
               106           107           108           109           110 
      1  -0.530017D+00  0.647640D+00 -0.545329D+01  0.261861D+01 -0.403333D+00
      2   0.647640D+00  0.233467D+00  0.823359D-01 -0.403333D+00 -0.288892D+01
      3  -0.545329D+01  0.823359D-01  0.994664D+00 -0.488347D+00 -0.671823D+00
               111           112           113           114           115 
      1  -0.488347D+00 -0.563200D+01  0.442184D+00  0.637499D+00 -0.134311D+01
      2  -0.671823D+00  0.442184D+00 -0.540060D+00  0.615961D+00  0.808996D-01
      3  -0.137314D+01  0.637499D+00  0.615961D+00 -0.173040D+01 -0.282962D+01
               116           117           118           119           120 
      1   0.808996D-01 -0.282962D+01 -0.433678D+01  0.190188D+01  0.228495D+00
      2   0.105472D+01 -0.352809D+01  0.190188D+01  0.297300D+01 -0.127055D+00
      3  -0.352809D+01 -0.335645D+00  0.228495D+00 -0.127055D+00  0.903185D+00
               121           122           123           124           125 
      1  -0.685339D+01  0.812992D+00 -0.133551D+00 -0.107747D+00 -0.470771D+00
      2   0.812992D+00 -0.162781D+01  0.508300D+00 -0.470771D+00  0.897247D-01
      3  -0.133551D+00  0.508300D+00 -0.163585D+01  0.953651D+00 -0.373637D+01
               126           127           128           129           130 
      1   0.953651D+00  0.360526D+01  0.212573D+01  0.419262D-02  0.211360D+01
      2  -0.373637D+01  0.212573D+01  0.237363D+01  0.185250D-01  0.270513D+01
      3  -0.163988D+01  0.419262D-02  0.185250D-01  0.184701D+00  0.157732D+00
               131           132           133           134           135 
      1   0.270513D+01  0.157732D+00 -0.259650D+00  0.109115D+00 -0.118199D+00
      2   0.654922D+01  0.339903D+00  0.109115D+00  0.454363D+00  0.113828D-01
      3   0.339903D+00  0.675863D+00 -0.118199D+00  0.113828D-01  0.240118D-01
               136           137           138           139           140 
      1  -0.282346D+01  0.291556D+01  0.519278D+00  0.265766D+01 -0.396433D+01
      2   0.291556D+01 -0.307606D+01 -0.537979D+00 -0.396433D+01  0.854527D+01
      3   0.519278D+00 -0.537979D+00 -0.528449D+00 -0.570953D+00  0.116848D+01
               141           142           143           144           145 
      1  -0.570953D+00  0.593184D+00 -0.729509D+00 -0.156473D+00 -0.128930D+02
      2   0.116848D+01 -0.729509D+00  0.131802D+01  0.226003D+00  0.405567D+00
      3   0.105016D+01 -0.156473D+00  0.226003D+00  0.159615D+00  0.109654D+01
               146           147           148           149           150 
      1   0.405567D+00  0.109654D+01  0.441445D+00 -0.157369D+01 -0.217116D+00
      2  -0.791931D+00 -0.764395D-02 -0.157369D+01  0.141285D+00  0.137839D+00
      3  -0.764395D-02 -0.108854D+01 -0.217116D+00  0.137839D+00  0.732092D-01
               151           152           153           154           155 
      1   0.134777D+01 -0.205029D+00 -0.102251D+00 -0.393302D+01 -0.349623D+01
      2  -0.205029D+00  0.818266D-01  0.378522D-01 -0.349623D+01 -0.354560D+01
      3  -0.102251D+00  0.378522D-01  0.153617D+00 -0.115456D+00 -0.766751D-01
               156           157           158           159           160 
      1  -0.115456D+00 -0.334574D+01 -0.440877D+01 -0.327141D+00 -0.928391D-01
      2  -0.766751D-01 -0.440877D+01 -0.767351D+01 -0.429435D+00 -0.174665D+00
      3  -0.532363D+00 -0.327141D+00 -0.429435D+00 -0.863372D+00 -0.229976D-01
               161           162           163           164           165 
      1  -0.174665D+00 -0.229976D-01  0.193405D+01 -0.178272D+01 -0.300043D+00
      2  -0.524083D+00 -0.147851D+00 -0.178272D+01  0.233186D+01  0.489199D+00
      3  -0.147851D+00 -0.960318D-01 -0.300043D+00  0.489199D+00  0.413211D+00
               166           167           168           169           170 
      1  -0.175785D+01  0.229510D+01  0.371311D+00 -0.431322D+00  0.518965D+00
      2   0.229510D+01 -0.767495D+01 -0.112214D+01  0.518965D+00 -0.103572D+01
      3   0.371311D+00 -0.112214D+01 -0.104492D+01  0.202718D-01 -0.246366D+00
               171 
      1   0.202718D-01
      2  -0.246366D+00
      3  -0.227006D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.144206D+01  0.921990D+00  0.316035D+01 -0.241479D+01  0.691330D+00
      2   0.832879D+00 -0.276563D+01  0.955766D+01  0.106045D+00  0.318674D+01
      3   0.175017D+01 -0.967990D+01  0.179468D+01 -0.993372D+00  0.102816D+02
                 6             7             8             9            10 
      1  -0.671173D+01 -0.154635D-01  0.116303D+01 -0.725906D+01 -0.378484D+00
      2  -0.221808D+01  0.340119D+01 -0.126509D+01 -0.108289D+02  0.185499D+01
      3  -0.242895D+01  0.153947D+01 -0.188443D+01  0.887562D+00 -0.220246D+01
                11            12            13            14            15 
      1   0.432464D+00 -0.121727D+00  0.307956D+01  0.162046D+01 -0.236508D+00
      2   0.510780D+00 -0.131915D+01 -0.571422D+00 -0.382929D+01  0.371348D+01
      3   0.180495D+01 -0.204901D-01  0.144888D+02  0.354446D-02  0.209322D+01
                16            17            18            19            20 
      1   0.288827D+00  0.409962D+01 -0.186701D+01  0.424460D+00 -0.408040D+00
      2  -0.119435D+02  0.439856D+01  0.936231D+01  0.298793D+01  0.267935D+00
      3   0.454091D+00  0.387705D+01 -0.657038D+01  0.118424D+01  0.875689D+00
                21            22            23            24            25 
      1  -0.221366D+01 -0.218690D+00  0.130840D+01  0.301516D+00  0.381792D+00
      2  -0.348985D+01 -0.114222D+01  0.969977D+00  0.930444D+00 -0.247599D+01
      3  -0.997879D+00  0.984268D+00  0.528130D+00 -0.718030D+00 -0.402633D+00
                26            27            28            29            30 
      1   0.917217D+00  0.102275D+02 -0.155429D+00 -0.133346D+01  0.731031D-01
      2  -0.250272D+01  0.156155D+02 -0.198756D+01  0.491415D+00  0.281075D+01
      3  -0.273250D+01  0.325935D+01  0.545241D+00 -0.328922D+01 -0.299216D+00
                31            32            33            34            35 
      1  -0.164616D+01  0.948433D+00 -0.626676D+00  0.909672D-01  0.231299D+01
      2   0.146690D+00 -0.809738D+00 -0.322916D+01  0.928232D+00 -0.288143D+01
      3  -0.212782D+01  0.208599D+01  0.234442D+01 -0.274614D+00  0.274250D+01
                36            37            38            39            40 
      1  -0.228480D+00 -0.207057D+01 -0.455484D+00 -0.247496D+01 -0.985969D+00
      2  -0.123283D+02  0.297511D+01  0.131405D+00  0.598168D+01  0.543756D+00
      3   0.382892D+01 -0.180285D+02 -0.863007D+01  0.247166D+01 -0.124841D+01
                41            42            43            44            45 
      1  -0.393938D+01  0.301114D+01  0.783472D+00  0.699911D+01  0.404371D+01
      2   0.505795D+01 -0.102812D+02 -0.953069D+00 -0.104301D+02 -0.901936D+01
      3   0.635285D+01 -0.544655D+01  0.226308D+01 -0.485388D+01  0.133350D+02
                46            47            48            49            50 
      1   0.591276D+00  0.124201D+01  0.132980D+01  0.294380D+01 -0.168267D+01
      2  -0.180050D+01 -0.601558D+00 -0.815408D+00 -0.647075D+00 -0.406055D+00
      3   0.676554D+01  0.608967D+01  0.484808D-01  0.163349D+02  0.811568D+00
                51            52            53            54            55 
      1   0.121358D+01  0.446522D+00  0.105827D+02  0.139692D+01 -0.614800D+00
      2  -0.586891D+00 -0.128580D+02 -0.565320D+00  0.245133D-01  0.280664D+01
      3  -0.400314D+00 -0.160306D+01 -0.282862D+01  0.411426D+00 -0.981795D+00
                56            57            58            59            60 
      1  -0.207459D+00  0.869501D+00 -0.158456D+00 -0.129211D+01 -0.395962D+01
      2  -0.160550D+00 -0.109393D+01 -0.388768D+00  0.298109D+01  0.496087D+01
      3   0.158467D+01  0.140447D+01  0.218436D+01 -0.491305D+01 -0.327644D+01
                61            62            63            64            65 
      1  -0.636542D+00 -0.687429D+00 -0.860179D+01  0.490010D+00  0.789526D-01
      2  -0.164241D+01  0.586384D+01  0.157183D+02 -0.239206D+01  0.568875D+00
      3   0.163194D+01 -0.552951D+01 -0.694450D+01 -0.251296D+01  0.285987D+01
                66            67            68            69            70 
      1   0.127003D+01  0.157255D+00  0.152347D+01 -0.478370D+01  0.375515D+00
      2  -0.129257D+01  0.771917D+00 -0.595251D+01  0.624764D+01 -0.204585D+01
      3  -0.209417D+01  0.411023D+01 -0.142647D+02  0.726316D+01 -0.222358D+01
                71            72            73            74            75 
      1  -0.119766D+01  0.376116D+01  0.289816D+00 -0.304425D+00 -0.130886D+01
      2   0.567856D+01 -0.670790D+01 -0.480026D+00  0.216321D+00  0.566482D+01
      3   0.821523D+01 -0.745436D+01  0.132791D+02 -0.586914D+01 -0.992927D+00
                76            77            78            79            80 
      1  -0.159872D+00  0.362943D+00 -0.481765D+00 -0.104893D+01  0.530496D+00
      2   0.687703D-02 -0.517079D+00 -0.320027D+00  0.208849D+01  0.993496D+00
      3  -0.275433D+01  0.223968D+01  0.910001D+00 -0.112045D+01  0.141128D+01
                81            82            83            84            85 
      1  -0.150338D+00 -0.148612D+01  0.224529D+00 -0.208561D+01  0.988409D+00
      2   0.329627D-01 -0.230002D+01 -0.514309D-01 -0.108624D+01  0.249295D+01
      3  -0.266195D+00 -0.718427D+01 -0.104071D+01  0.130842D+01  0.560380D+01
                86            87            88            89            90 
      1   0.270845D+00 -0.215605D+01 -0.599442D+01  0.247931D+01  0.562560D+00
      2  -0.359054D+00 -0.955410D+00 -0.135101D+02 -0.226088D+00  0.715546D+00
      3   0.478376D+01 -0.720059D+00  0.173945D+01  0.316186D+00  0.522868D+01
                91            92            93            94            95 
      1   0.176303D+01 -0.700516D+00  0.132464D+01  0.383097D-01  0.808033D-01
      2   0.192125D+00  0.408763D+00  0.997741D+00  0.811544D+00  0.188309D+01
      3   0.407683D+01 -0.111241D+02 -0.113180D+01  0.551596D+01  0.162799D+01
                96            97            98            99           100 
      1  -0.221138D+01  0.563131D+01  0.141530D+01 -0.667405D+00 -0.741005D-01
      2  -0.426517D+01 -0.710899D+01 -0.101844D+02 -0.207715D+01 -0.151129D+00
      3  -0.128194D+01 -0.117785D+00 -0.125008D+01  0.525756D+01 -0.740159D+00
               101           102           103           104           105 
      1   0.853285D+00  0.464591D+00  0.319865D+00 -0.182716D+01  0.136593D+01
      2   0.399857D-01  0.597138D+01 -0.225423D+01  0.302529D-01  0.102069D+00
      3  -0.663891D+01 -0.151926D+00  0.114813D+02 -0.322928D+01 -0.147698D+01
               106           107           108           109           110 
      1   0.118366D+01  0.117231D+02  0.110063D+01 -0.104718D+01 -0.449276D+00
      2   0.810644D+01 -0.524731D+00 -0.177122D+01  0.898143D+00  0.176142D+01
      3   0.187286D+01 -0.451795D+00 -0.793381D+00  0.479662D+00 -0.132258D+02
               111           112           113           114           115 
      1  -0.200491D+01  0.125014D+01  0.192711D+00 -0.172240D+01 -0.664902D+01
      2   0.206274D+01 -0.605964D+00 -0.166844D+01  0.412398D+01 -0.467348D+01
      3  -0.147993D+01  0.320378D+01  0.214753D+01  0.101256D+01  0.292872D+00
               116           117           118           119           120 
      1   0.274924D+01  0.146744D+01  0.461314D+00 -0.283742D+00  0.137388D+01
      2   0.103741D+02  0.174201D+01 -0.271931D+01  0.106248D+01 -0.840154D+00
      3   0.286833D+01 -0.427388D+01 -0.548818D+00 -0.200269D+01 -0.144450D+01
               121           122           123           124           125 
      1  -0.941952D+00 -0.444019D+00 -0.243742D+01  0.539269D+01  0.208308D+01
      2   0.352066D+00  0.626919D+00  0.188696D+01 -0.136409D+02  0.115425D+01
      3   0.153522D+01 -0.824073D+01 -0.136352D+00 -0.265036D+01  0.596713D+00
               126           127           128           129           130 
      1  -0.151663D+01  0.277047D+00  0.257126D+00 -0.143082D+01 -0.286601D+00
      2   0.205389D+01 -0.617723D+00 -0.172786D+00  0.203352D+00 -0.857795D-01
      3  -0.593814D+01  0.110605D+02  0.417861D+01 -0.911154D-01  0.724787D+01
               131           132           133           134           135 
      1  -0.277786D+00 -0.318192D+01  0.608838D+00  0.178243D+01 -0.119418D+00
      2  -0.394488D+00  0.820707D+00 -0.165157D+01 -0.430443D+00 -0.953845D-02
      3   0.675075D+01  0.474853D+00 -0.536027D+00  0.134961D+00 -0.159209D+00
               136           137           138           139           140 
      1  -0.251729D+00  0.148688D+00  0.191579D+01  0.113579D+00  0.189672D+00
      2  -0.465153D+00  0.720848D+00  0.199759D+01  0.480543D+00 -0.192035D+01
      3   0.824968D+00 -0.304068D+01 -0.410354D+00 -0.181606D+01  0.129610D+02
               141           142           143           144           145 
      1  -0.411692D+01 -0.607516D+00  0.174464D+01 -0.376149D+00 -0.123865D+00
      2  -0.328102D+01 -0.410303D+00  0.435403D+00 -0.408282D+00 -0.165803D+01
      3   0.166288D+01 -0.400944D+00  0.171573D+01  0.710539D-01 -0.407890D+00
               146           147           148           149           150 
      1  -0.351472D+00  0.272589D+00 -0.170459D+00 -0.152179D-01 -0.304217D+00
      2  -0.677449D-01  0.643588D+01  0.797626D+00 -0.278761D+00 -0.373483D+00
      3  -0.519326D+01  0.162372D+00 -0.395435D+01  0.362764D+00  0.350887D+00
               151           152           153           154           155 
      1  -0.523748D-01  0.453096D+00 -0.284133D-01  0.217179D+00  0.451122D+00
      2  -0.259343D+01 -0.409364D-01 -0.598849D+00 -0.394029D+00 -0.389112D+00
      3  -0.736898D+00  0.501179D+00  0.206627D+00 -0.114968D+01 -0.434834D+01
               156           157           158           159           160 
      1  -0.212571D+01 -0.136364D+00  0.188078D+00 -0.362588D+01  0.835684D+00
      2   0.240275D+01  0.206003D+00  0.350421D+00  0.323958D+01 -0.740350D+00
      3   0.332691D-01 -0.300543D+01 -0.121311D+02 -0.447763D+00 -0.356709D+00
               161           162           163           164           165 
      1   0.146812D+01 -0.149529D+00  0.246081D+00 -0.116293D+00  0.171199D+01
      2  -0.687917D+00  0.184987D+00  0.956847D+00 -0.589903D+00  0.156671D+00
      3  -0.127863D+01 -0.194415D+00 -0.683427D+01  0.400584D+01  0.509425D+00
               166           167           168           169           170 
      1  -0.310740D+00  0.719686D+00 -0.364170D+01 -0.390543D+00  0.206515D+01
      2  -0.102055D+01  0.104933D+01 -0.515238D+00 -0.163706D+01  0.217463D+00
      3   0.656988D+01 -0.753483D+01 -0.123611D+01  0.629295D+00 -0.156970D+01
               171 
      1  -0.214125D+00
      2  -0.242948D+00
      3   0.108264D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.183017D+02 -0.244275D+01 -0.115321D+01 -0.573617D+01 -0.239631D+01
      2  -0.792028D+01 -0.290897D+01 -0.267082D+01 -0.100422D+01  0.142360D+02
      3  -0.103814D+02  0.535172D+01  0.382403D+01  0.674038D+01 -0.118397D+02
      4  -0.165103D+02  0.205470D+02 -0.336475D+01  0.261761D+02 -0.271519D+02
      5   0.693711D+01 -0.398411D+01  0.137841D+02 -0.551766D+01  0.702648D+01
      6  -0.293591D+01  0.304084D+01 -0.546987D+01  0.476152D+01 -0.706201D+01
                 6             7             8             9            10 
      1   0.306279D+01  0.927254D+00 -0.134532D-01  0.101761D+02  0.100393D+02
      2  -0.571183D-02  0.646358D+00 -0.262911D+01  0.211353D+01 -0.611168D+01
      3  -0.305707D+01 -0.157361D+01  0.264256D+01 -0.122896D+02 -0.392761D+01
      4   0.725651D+01 -0.554227D+01  0.496131D+01 -0.913491D+01  0.503605D+01
      5  -0.508615D+01  0.131884D+02 -0.666638D+01 -0.149680D+02  0.357331D+01
      6   0.962284D+01 -0.536412D+01  0.628638D+01  0.653177D+01 -0.175133D+01
                11            12            13            14            15 
      1  -0.220377D+01  0.840817D+00 -0.452693D+01 -0.732051D+01  0.925056D+00
      2  -0.355292D+00 -0.178808D+01 -0.108344D+01 -0.114139D+01  0.140691D+01
      3   0.255906D+01  0.947264D+00  0.561038D+01  0.846189D+01 -0.233196D+01
      4  -0.185747D+02  0.930313D+00 -0.292330D+02  0.100907D+01 -0.469683D+01
      5   0.102635D+01 -0.948445D+01  0.356153D+01 -0.399584D+01  0.944509D+01
      6  -0.220686D+01  0.120601D+01 -0.243894D+01  0.209691D+01 -0.587164D+01
                16            17            18            19            20 
      1  -0.872398D+01  0.132479D+01  0.169801D+00 -0.953607D+00 -0.190284D+01
      2  -0.615203D+01  0.628362D+01  0.106822D+02 -0.451152D+00  0.104534D+01
      3   0.148760D+02 -0.760841D+01 -0.108520D+02  0.140476D+01  0.857502D+00
      4   0.427339D+01 -0.869242D+01  0.144082D+02  0.797842D-01 -0.153047D+01
      5  -0.167403D+02  0.132710D+02  0.245987D+02  0.138671D+01  0.270625D+00
      6   0.735266D+01 -0.563433D+00 -0.508671D+01 -0.328242D+00 -0.131312D+01
                21            22            23            24            25 
      1   0.579674D+01 -0.436036D-01 -0.255678D+01 -0.195651D+00  0.571478D+01
      2  -0.214294D+00 -0.688591D+00  0.200032D+01 -0.258020D+01 -0.306998D+01
      3  -0.558244D+01  0.732195D+00  0.556461D+00  0.277585D+01 -0.264480D+01
      4  -0.863580D+00  0.101269D+01 -0.109184D+01  0.191301D+01 -0.477678D+01
      5  -0.349771D+01  0.817847D-01  0.149576D+01  0.164766D+01  0.515876D+01
      6   0.311761D+01  0.390962D+00 -0.140134D+01  0.262793D+01 -0.929332D+00
                26            27            28            29            30 
      1   0.238055D+01 -0.138951D+02  0.478256D+01 -0.810146D+00 -0.406150D+01
      2  -0.132821D+01 -0.847429D+01 -0.608672D+01  0.114399D+01  0.467846D+01
      3  -0.105234D+01  0.223694D+02  0.130416D+01 -0.333842D+00 -0.616960D+00
      4   0.613837D+01 -0.218561D+01 -0.296063D+01  0.653280D+01  0.235110D+01
      5  -0.401410D+01  0.242799D+02 -0.982300D+01  0.231824D+01  0.116407D+02
      6   0.448299D+01 -0.136591D+02  0.249350D+01 -0.374606D+00 -0.134190D+01
                31            32            33            34            35 
      1  -0.334249D+00 -0.213767D+01 -0.262925D+01 -0.339153D+01 -0.319716D+01
      2   0.164784D+01 -0.501896D+00 -0.805940D+00  0.961983D+01 -0.194073D+01
      3  -0.131359D+01  0.263956D+01  0.343519D+01 -0.622830D+01  0.513789D+01
      4   0.957580D+01 -0.562112D+01 -0.566890D+01  0.380615D+01 -0.688327D+01
      5   0.339019D+01 -0.512808D+01 -0.760864D+01  0.184327D+02 -0.792046D+01
      6  -0.194654D+01  0.388718D+01  0.829627D+01 -0.455795D+01  0.568392D+01
                36            37            38            39            40 
      1  -0.101544D+02 -0.514519D+02  0.116896D+01  0.650131D+01  0.144388D+02
      2  -0.155903D+02  0.323469D+02  0.471127D+01 -0.435533D+01 -0.316505D+01
      3   0.257446D+02  0.191050D+02 -0.588023D+01 -0.214598D+01 -0.112737D+02
      4  -0.903891D+01  0.255131D+01  0.172480D+02 -0.349825D-01  0.202263D+02
      5  -0.312843D+02  0.732043D+01 -0.128491D+01  0.791438D+01 -0.163444D+01
      6   0.957819D+01  0.315272D+01 -0.946347D+00  0.561852D+01 -0.559339D+00
                41            42            43            44            45 
      1   0.169136D+02 -0.512998D+01  0.736905D+01 -0.333371D+01  0.165648D+02
      2  -0.705495D+01  0.656708D+01 -0.231524D+01  0.602483D+01 -0.116336D+02
      3  -0.985868D+01 -0.143710D+01 -0.505381D+01 -0.269112D+01 -0.493125D+01
      4   0.369771D+01  0.720910D+01  0.206959D+01  0.838141D+01 -0.150295D+02
      5   0.736389D+01 -0.174246D+02  0.355538D+01 -0.173950D+02 -0.175814D+02
      6   0.803424D+01 -0.111114D+02  0.684283D+00 -0.129554D+02 -0.661953D+01
                46            47            48            49            50 
      1  -0.220417D+02 -0.456231D+00 -0.754769D+00  0.237669D+01 -0.766134D+01
      2   0.749020D+01  0.622364D+00 -0.494245D+00  0.642967D+00  0.131996D+02
      3   0.145515D+02 -0.166132D+00  0.124901D+01 -0.301966D+01 -0.553825D+01
      4  -0.850325D+01  0.533872D+01 -0.171070D+00 -0.123028D+02  0.223421D+01
      5  -0.271031D+01 -0.111266D+00  0.248090D+01 -0.167368D+01  0.880757D+00
      6  -0.667666D+00 -0.683001D+00 -0.157948D+01  0.166639D+01  0.186143D+01
                51            52            53            54            55 
      1  -0.485727D-01  0.409709D+01  0.123599D+00 -0.100999D+02  0.282879D+01
      2   0.214947D+01 -0.158416D+01  0.723149D+00 -0.423123D+01 -0.234605D+01
      3  -0.210090D+01 -0.251293D+01 -0.846748D+00  0.143311D+02 -0.482737D+00
      4   0.123334D+01 -0.104516D+01  0.199107D+01 -0.114735D+01  0.248318D+00
      5  -0.167431D+01  0.361620D+01 -0.130104D+01  0.188617D+00  0.225153D+01
      6  -0.283621D+01  0.399224D+00  0.280443D+01 -0.187599D+01  0.234156D+01
                56            57            58            59            60 
      1   0.214846D+01  0.417649D+01  0.157850D+01 -0.683500D+01 -0.417032D+01
      2  -0.211436D+01 -0.121859D+01 -0.207044D+00  0.703513D+01  0.405991D+01
      3  -0.340983D-01 -0.295790D+01 -0.137146D+01 -0.200133D+00  0.110415D+00
      4  -0.148204D+01  0.172912D+01  0.291262D+01  0.812285D+01  0.532541D+01
      5   0.493129D+00 -0.822726D-01  0.131906D+01  0.549345D+01  0.873253D+01
      6  -0.534654D+00 -0.171000D+01  0.802084D+00  0.564208D+01  0.103210D+02
                61            62            63            64            65 
      1   0.793010D+01 -0.398960D+01 -0.123643D+02  0.211656D+00  0.510212D+01
      2  -0.406597D+01  0.428552D+01 -0.592441D-01  0.658188D+00 -0.451596D+01
      3  -0.386413D+01 -0.295919D+00  0.124236D+02 -0.869844D+00 -0.586162D+00
      4   0.787509D+01  0.105689D+02  0.984376D+01  0.634490D+00 -0.731871D+00
      5   0.669720D+01  0.113481D+02  0.285373D+02 -0.214448D+01  0.135554D+00
      6   0.180772D+01  0.109138D+02  0.185213D+02 -0.282538D+01  0.200320D+01
                66            67            68            69            70 
      1  -0.489198D+01  0.500045D+01 -0.156913D+02  0.859448D+01 -0.624246D+01
      2   0.253010D+01 -0.229827D+01  0.218126D+02 -0.942316D+01  0.267078D+01
      3   0.236188D+01 -0.270218D+01 -0.612136D+01  0.828678D+00  0.357167D+01
      4  -0.110525D+01  0.634943D+01  0.223696D+02 -0.107409D+02 -0.644267D+01
      5  -0.101406D+01 -0.172223D+01 -0.112052D+02  0.119947D+02  0.335506D+01
      6  -0.289203D+01 -0.806176D+00 -0.132926D+02  0.125867D+02  0.662911D+00
                71            72            73            74            75 
      1   0.840356D+01 -0.114789D+02  0.839249D+02  0.817591D+00 -0.504782D+01
      2  -0.914992D+01  0.532763D+01 -0.452295D+02  0.166579D+01  0.333230D+01
      3   0.746362D+00  0.615127D+01 -0.386954D+02 -0.248338D+01  0.171552D+01
      4  -0.140440D+02  0.104105D+02  0.172567D+02  0.108626D+02 -0.109036D+01
      5   0.116938D+02 -0.121702D+02 -0.756115D+01 -0.177321D+00  0.108177D+02
      6   0.128266D+02 -0.126389D+02 -0.182671D+01 -0.368594D+00  0.255436D+01
                76            77            78            79            80 
      1  -0.124731D+02  0.541714D+01  0.105795D+01 -0.610352D+01  0.424363D+00
      2   0.858704D+01 -0.258213D+01 -0.120986D+01  0.400323D+01 -0.106436D+01
      3   0.388605D+01 -0.283501D+01  0.151912D+00  0.210028D+01  0.640000D+00
      4   0.701293D+01 -0.173848D+01 -0.135421D+01 -0.153301D+01 -0.243004D+01
      5   0.789609D+00 -0.157556D+01 -0.103876D+01  0.114266D+02  0.163566D+01
      6  -0.196795D+00 -0.571634D+00  0.154387D+01  0.171616D+01  0.236208D+01
                81            82            83            84            85 
      1   0.564753D+01  0.468033D+01 -0.158607D+02 -0.286101D+01  0.340133D+00
      2  -0.411021D+01 -0.432977D+01  0.122083D+02  0.150719D+01 -0.107388D+02
      3  -0.153732D+01 -0.350563D+00  0.365245D+01  0.135382D+01  0.103987D+02
      4   0.256652D+01 -0.979544D+01 -0.125015D+02  0.531569D+00  0.652504D+01
      5  -0.160815D+01 -0.112314D+01  0.887494D+00 -0.209942D+01  0.418491D+00
      6   0.209832D+00  0.290849D+01  0.193769D+01  0.463588D+01 -0.440242D+01
                86            87            88            89            90 
      1   0.322219D+01  0.156569D+01 -0.881053D+00  0.412599D+01 -0.149348D+02
      2  -0.761607D+01 -0.130735D+01 -0.896439D+00 -0.503544D+01  0.307381D+01
      3   0.439388D+01 -0.258339D+00  0.177749D+01  0.909451D+00  0.118610D+02
      4  -0.131734D+02 -0.142213D+01  0.310691D-01  0.217197D+01 -0.289937D+01
      5  -0.143419D+01  0.117305D-01  0.290076D+01 -0.319674D+01  0.160193D+01
      6  -0.227874D+01  0.567991D+01  0.447206D+01  0.155110D+02 -0.766008D+00
                91            92            93            94            95 
      1   0.187410D+01  0.208301D+02  0.721732D+00 -0.247018D+02  0.102022D+02
      2  -0.337163D+01 -0.139647D+02 -0.538017D+00  0.226009D+02 -0.142948D+02
      3   0.149753D+01 -0.686542D+01 -0.183714D+00  0.210090D+01  0.409259D+01
      4   0.137369D+02 -0.432352D+01 -0.462060D+01  0.796100D+01  0.544161D+01
      5   0.277524D+01 -0.500754D+01  0.988185D+00 -0.208598D+00  0.323711D+01
      6  -0.464633D+01  0.250245D+01 -0.356517D+01  0.257246D+01 -0.592941D+01
                96            97            98            99           100 
      1   0.184567D+01 -0.104096D+01 -0.297565D+01 -0.424721D+01 -0.804807D+01
      2  -0.409312D+01  0.422614D+01 -0.283142D+01 -0.368807D+01  0.539766D+01
      3   0.224745D+01 -0.318518D+01  0.580707D+01  0.793529D+01  0.265041D+01
      4   0.318501D+01 -0.474644D+01  0.689185D+01 -0.165208D+02  0.114857D+01
      5  -0.905420D+01  0.133354D+02 -0.166379D+02 -0.471895D+01  0.718579D+01
      6   0.475279D+01 -0.751157D+01  0.150133D+02  0.257006D+01  0.470438D+00
               101           102           103           104           105 
      1   0.146733D+01  0.509908D+01 -0.268318D+01 -0.217084D+02 -0.383150D+01
      2  -0.114996D+01 -0.325103D+01  0.194954D+01  0.183091D+02  0.507122D+01
      3  -0.317365D+00 -0.184805D+01  0.733642D+00  0.339927D+01 -0.123972D+01
      4   0.222195D+02  0.763799D+00 -0.210970D+02  0.548909D+01  0.333190D+01
      5   0.727874D+00  0.134272D+02 -0.668706D+01  0.290218D+01  0.211980D+00
      6  -0.664510D+00 -0.963664D+00  0.298415D+01  0.172971D+01 -0.329416D+01
               106           107           108           109           110 
      1   0.903925D+01 -0.450781D+01  0.156904D+02  0.199788D+01 -0.220831D+02
      2  -0.355356D+01  0.377860D+01 -0.192849D+02 -0.411834D+01  0.134891D+02
      3  -0.548569D+01  0.729209D+00  0.359453D+01  0.212047D+01  0.859402D+01
      4  -0.726841D+01 -0.851673D+00 -0.726085D+00 -0.178537D+02  0.217645D+01
      5   0.364609D+02 -0.145747D+00 -0.421055D+01 -0.247399D+00  0.435667D+01
      6  -0.932865D+00  0.379311D+01 -0.201693D+01  0.276293D+01  0.270432D+01
               111           112           113           114           115 
      1  -0.301705D+01  0.250851D+02  0.758171D+01  0.239699D+00  0.526465D+01
      2   0.566367D+00 -0.234451D+02 -0.119919D+02 -0.115568D+00 -0.558371D+01
      3   0.245068D+01 -0.163995D+01  0.441017D+01 -0.124131D+00  0.319065D+00
      4   0.402055D+01  0.536345D+01 -0.121329D+02 -0.507487D+01  0.255306D+01
      5   0.445480D+01 -0.211903D+01 -0.467566D+01  0.887494D+01  0.174723D+02
      6   0.459057D+01 -0.412632D+01 -0.279560D+01  0.465023D+01  0.867171D+01
               116           117           118           119           120 
      1   0.532851D+01 -0.533851D-01  0.752090D+01  0.128921D+02 -0.203508D+00
      2  -0.587467D+01 -0.604840D+01 -0.596033D+01 -0.982469D+01  0.623927D+00
      3   0.546158D+00  0.610179D+01 -0.156057D+01 -0.306745D+01 -0.420419D+00
      4  -0.432530D+01  0.157674D+02  0.119563D+02 -0.169024D+02 -0.275678D+01
      5   0.164506D+02  0.403897D+01  0.519494D+00 -0.307718D+01 -0.318520D+01
      6   0.136399D+02 -0.173258D+01 -0.243277D+01  0.141962D+01 -0.297184D+01
               121           122           123           124           125 
      1  -0.712243D+00  0.689191D+01  0.343346D+01 -0.140314D+01 -0.181572D+00
      2   0.831714D+01 -0.111874D+02 -0.396318D+01  0.324932D+01 -0.400024D+01
      3  -0.760490D+01  0.429544D+01  0.529727D+00 -0.184618D+01  0.418181D+01
      4   0.104275D+02  0.129073D+02  0.125996D+01  0.121318D+01  0.351017D+01
      5   0.126697D+01  0.114377D+01  0.114376D+01  0.356043D-01  0.485260D+01
      6   0.287526D+01 -0.581914D+01  0.461557D+01 -0.445496D+01  0.149920D+02
               126           127           128           129           130 
      1  -0.159135D+02 -0.854250D+00 -0.653824D+01 -0.780867D-02 -0.802243D+01
      2   0.227110D+01  0.411984D+01  0.964927D+01  0.174288D+00  0.115500D+02
      3   0.136424D+02 -0.326559D+01 -0.311104D+01 -0.166480D+00 -0.352754D+01
      4   0.504042D+01  0.911601D+01  0.725740D+01  0.340193D+00  0.700963D+01
      5   0.422536D+01  0.309737D+00  0.525913D+00  0.629685D+00  0.568736D+00
      6   0.465055D+01 -0.352452D+00 -0.177958D+00  0.154461D+01  0.669935D+00
               131           132           133           134           135 
      1  -0.231051D+02 -0.122149D+01 -0.874269D+00 -0.159172D+01 -0.629645D+00
      2   0.321411D+02  0.112549D+01  0.879071D+00  0.213311D+01  0.101756D+01
      3  -0.903602D+01  0.960002D-01 -0.480226D-02 -0.541394D+00 -0.387915D+00
      4   0.618238D+01  0.314570D+00  0.192283D+00 -0.287711D+00  0.125779D+01
      5   0.885246D+00  0.780338D+00  0.561399D+00  0.820841D+00 -0.293700D-01
      6   0.132092D+01  0.501518D+01  0.452784D+00  0.125409D+01  0.501763D+00
               136           137           138           139           140 
      1   0.822166D+01 -0.635618D+01 -0.870750D+00 -0.131720D+01 -0.101825D+02
      2   0.233386D+01 -0.480447D+01 -0.945288D-01 -0.107474D+02  0.320783D+02
      3  -0.105555D+02  0.111606D+02  0.965279D+00  0.120646D+02 -0.218958D+02
      4  -0.222706D+02  0.254080D+02  0.393649D+01  0.273022D+02 -0.477232D+02
      5  -0.331099D+01  0.349548D+01  0.465767D+01  0.337440D+01 -0.536186D+01
      6   0.254541D+01 -0.295338D+01 -0.295423D+01 -0.347543D+01  0.747266D+01
               141           142           143           144           145 
      1  -0.160064D+01 -0.828286D+00 -0.640832D+00 -0.113637D+01  0.978908D+02
      2   0.295000D+01 -0.116313D+01  0.352061D+01  0.183230D+01 -0.563891D+02
      3  -0.134937D+01  0.199142D+01 -0.287978D+01 -0.695928D+00 -0.415018D+02
      4  -0.624177D+01  0.507601D+01 -0.750953D+01 -0.254866D+01 -0.581373D+01
      5  -0.552541D+01  0.163193D+01 -0.185827D+01 -0.132822D+01 -0.977873D+01
      6   0.752776D+01 -0.161291D+01  0.329019D+01  0.180020D+01 -0.111632D+01
               146           147           148           149           150 
      1  -0.275589D+01 -0.690025D+01 -0.264537D+01  0.923699D+01  0.918177D+00
      2   0.131465D+01  0.483408D+01  0.116869D+01 -0.464546D+01 -0.772221D+00
      3   0.144125D+01  0.206617D+01  0.147668D+01 -0.459152D+01 -0.145956D+00
      4   0.862586D+01  0.226744D+00  0.146039D+02 -0.150155D+01 -0.119821D+01
      5   0.644906D-01  0.112266D+02  0.168199D+01 -0.109137D+01 -0.578942D+00
      6  -0.502857D+00 -0.219577D+00 -0.857639D+00 -0.111587D+00  0.154003D+01
               151           152           153           154           155 
      1  -0.955414D+01  0.998330D+00  0.330541D+01  0.152957D+02  0.104196D+02
      2   0.571408D+01 -0.681398D+00 -0.218442D+01 -0.748393D+00  0.319547D+01
      3   0.384007D+01 -0.316932D+00 -0.112099D+01 -0.145473D+02 -0.136151D+02
      4   0.198275D+01 -0.953501D+00 -0.472584D+00  0.280357D+02  0.288053D+02
      5   0.330011D+01 -0.325739D+00 -0.200509D+01  0.186954D+01  0.136507D+01
      6  -0.791156D-01  0.819522D+00  0.271788D+00  0.370139D+00  0.203848D+00
               156           157           158           159           160 
      1   0.636588D+00  0.570686D+01 -0.159534D+01  0.147561D+00 -0.662212D+00
      2  -0.208868D+00  0.857697D+01  0.231406D+02  0.366945D+00  0.984826D+00
      3  -0.427720D+00 -0.142838D+02 -0.215453D+02 -0.514506D+00 -0.322614D+00
      4   0.932666D+00  0.313462D+02  0.465637D+02  0.261816D+01  0.114729D+01
      5   0.494226D+01  0.274900D+01  0.351204D+01  0.536283D+01  0.139872D+01
      6   0.294496D+01  0.148166D+01  0.213671D+01  0.605791D+01  0.120596D+01
               161           162           163           164           165 
      1  -0.869086D+00 -0.673111D+00 -0.527109D+01  0.822972D+01  0.210296D+01
      2   0.167059D+01  0.125874D+01  0.624147D+01 -0.102402D+02 -0.146594D+01
      3  -0.801502D+00 -0.585633D+00 -0.970380D+00  0.201050D+01 -0.637018D+00
      4   0.248720D+01  0.218901D+01 -0.484287D+01  0.639191D+01  0.100812D+01
      5   0.131402D+01  0.417087D+00 -0.350156D+00  0.738722D+00  0.101057D+01
      6   0.233318D+01  0.717005D+00  0.183792D+01 -0.308608D+01 -0.254476D+01
               166           167           168           169           170 
      1   0.783669D+01 -0.285202D+02 -0.480532D+01  0.131037D+01 -0.365129D+01
      2  -0.999698D+01  0.375523D+02  0.426367D+01 -0.166245D+01  0.427329D+01
      3   0.216029D+01 -0.903206D+01  0.541645D+00  0.352078D+00 -0.622000D+00
      4   0.554033D+01 -0.263371D+01 -0.169597D+00  0.113487D+01 -0.112482D+01
      5   0.360935D+00  0.527106D+00 -0.214553D+00  0.925280D+00 -0.675698D+00
      6  -0.231526D+01  0.784353D+01  0.688711D+01 -0.733110D+00  0.287916D+01
               171 
      1  -0.171444D+01
      2   0.198669D+01
      3  -0.272248D+00
      4  -0.177979D+01
      5  -0.903961D+00
      6   0.180660D+01
 Leave Link  716 at Thu Aug 12 22:43:10 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126712D+03  0.124953D+01 -0.292046D+01
      2   0.124953D+01  0.105367D+03  0.276328D+01
      3  -0.292046D+01  0.276328D+01  0.686116D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.116432D+01 -0.379310D+01 -0.578843D+01
      2   0.124876D+02 -0.693974D+01  0.394131D+01
      3   0.112768D+02  0.393974D+02  0.673231D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.919673D+02 -0.853823D+01  0.106635D+02
      2   0.417887D+02  0.227163D+02 -0.456475D+01
      3   0.501786D+02 -0.141780D+02 -0.609871D+01
      4   0.224033D+02 -0.700262D+02 -0.167226D+02
      5   0.650159D+01 -0.169278D+02  0.104852D+02
      6  -0.572198D+01 -0.264493D+01  0.125012D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.429752D+01 -0.248780D+01  0.102341D+01 -0.477338D+01  0.333815D+01
      2  -0.248780D+01  0.206071D+01 -0.861979D+00  0.333815D+01 -0.469027D+01
      3   0.102341D+01 -0.861979D+00  0.155314D+01 -0.617973D+00  0.137610D+01
                 6             7             8             9            10 
      1  -0.617973D+00 -0.216307D+00 -0.666152D+00  0.128225D+01 -0.410993D+01
      2   0.137610D+01 -0.666152D+00  0.385380D+00 -0.104261D+01  0.938116D+00
      3  -0.639420D+00  0.128225D+01 -0.104261D+01 -0.473642D+01  0.892510D+00
                11            12            13            14            15 
      1   0.938116D+00  0.892510D+00  0.261942D+01 -0.429390D+01  0.236011D+00
      2  -0.226801D+01  0.363977D+00 -0.429390D+01  0.346766D+00 -0.822815D+00
      3   0.363977D+00 -0.818763D+00  0.236011D+00 -0.822815D+00  0.204511D+01
                16            17            18            19            20 
      1   0.233872D+01  0.195782D+00 -0.306949D+01 -0.827374D+00  0.173083D+00
      2   0.195782D+00 -0.105161D+01  0.273065D+01  0.173083D+00 -0.218798D+00
      3  -0.306949D+01  0.273065D+01  0.624008D+01  0.266356D+00  0.305806D+00
                21            22            23            24            25 
      1   0.266356D+00  0.491027D+00  0.130848D+00  0.673315D-01  0.211607D+01
      2   0.305806D+00  0.130848D+00 -0.484007D+00  0.560425D+00 -0.513810D+00
      3  -0.144468D+01  0.673315D-01  0.560425D+00  0.368324D+00  0.630559D+00
                26            27            28            29            30 
      1  -0.513810D+00  0.630559D+00  0.212171D+01 -0.437551D+00 -0.177289D+01
      2   0.167826D+01 -0.109846D+01 -0.437551D+00  0.692604D+00  0.276458D+00
      3  -0.109846D+01  0.676524D+01 -0.177289D+01  0.276458D+00  0.136054D+01
                31            32            33            34            35 
      1  -0.185394D+01  0.161391D+01  0.504289D+00 -0.468562D+01  0.654662D+00
      2   0.161391D+01 -0.119036D+01 -0.121128D+01  0.654662D+00 -0.153020D+01
      3   0.504289D+00 -0.121128D+01 -0.176870D+01  0.287904D+01 -0.184470D+01
                36            37            38            39            40 
      1   0.287904D+01 -0.733324D+01  0.204198D+01  0.884646D+00  0.421778D+01
      2  -0.184470D+01  0.204198D+01  0.255834D+01 -0.300447D+00  0.272267D+01
      3  -0.747591D+01  0.884646D+00 -0.300447D+00  0.141486D+01 -0.288080D+00
                41            42            43            44            45 
      1   0.272267D+01 -0.288080D+00  0.612968D+00  0.112480D+00  0.567186D+00
      2  -0.570256D+00  0.160313D+01  0.112480D+00  0.178673D+01 -0.372768D+01
      3   0.160313D+01 -0.389775D+01  0.567186D+00 -0.372768D+01 -0.357703D+01
                46            47            48            49            50 
      1   0.171358D+02 -0.204600D+01 -0.822900D+00 -0.200239D+01 -0.182348D+01
      2  -0.204600D+01  0.279780D+01 -0.693228D-02 -0.182348D+01 -0.220526D+00
      3  -0.822900D+00 -0.693228D-02  0.177877D+01 -0.475423D+00  0.191050D+00
                51            52            53            54            55 
      1  -0.475423D+00 -0.492196D+00 -0.420445D+00  0.400959D+01  0.152822D+00
      2   0.191050D+00 -0.420445D+00 -0.704695D-01 -0.388661D+00  0.364188D-01
      3  -0.434376D+00  0.400959D+01 -0.388661D+00 -0.137334D+01  0.665206D+00
                56            57            58            59            60 
      1   0.364188D-01  0.665206D+00  0.168995D+00  0.133509D+00  0.109249D+00
      2  -0.571092D+00 -0.989558D-01  0.133509D+00  0.178594D+01  0.116077D+01
      3  -0.989558D-01 -0.662843D+00  0.109249D+00  0.116077D+01  0.172081D+01
                61            62            63            64            65 
      1   0.211650D+01  0.764530D+00  0.600288D+00 -0.159863D-02  0.411001D+00
      2   0.764530D+00  0.212192D+01  0.228127D+01  0.411001D+00 -0.848361D+00
      3   0.600288D+00  0.228127D+01  0.596698D+01 -0.659907D+00  0.327536D+00
                66            67            68            69            70 
      1  -0.659907D+00  0.115385D+01  0.261180D+00 -0.464974D-01 -0.167846D+01
      2   0.327536D+00  0.261180D+00  0.504722D+01 -0.245690D+01 -0.524547D+00
      3  -0.614317D+00 -0.464974D-01 -0.245690D+01  0.256947D+01  0.859412D-01
                71            72            73            74            75 
      1  -0.524547D+00  0.859412D-01  0.119408D+02  0.427051D+00 -0.748058D+00
      2  -0.306338D+01  0.252433D+01  0.427051D+00  0.109508D+01 -0.173578D-01
      3   0.252433D+01 -0.282106D+01 -0.748058D+00 -0.173578D-01  0.115454D+01
                76            77            78            79            80 
      1  -0.184319D+01  0.793660D+00  0.619015D-01 -0.990491D+00 -0.728895D-01
      2   0.793660D+00 -0.355463D+00 -0.255333D+00 -0.728895D-01 -0.448336D+00
      3   0.619015D-01 -0.255333D+00  0.847075D-04  0.120917D+01  0.373672D+00
                81            82            83            84            85 
      1   0.120917D+01 -0.552732D+01 -0.869602D+00 -0.126335D-01  0.828751D+01
      2   0.373672D+00 -0.869602D+00  0.317060D+01  0.747057D+00  0.323026D+00
      3  -0.853676D-01 -0.126335D-01  0.747057D+00  0.124975D+01 -0.122684D+00
                86            87            88            89            90 
      1   0.323026D+00 -0.122684D+00  0.166835D+01  0.860739D-01  0.167860D+01
      2   0.177268D+01 -0.580168D+00  0.860739D-01 -0.940221D+00  0.371387D+01
      3  -0.580168D+00  0.185333D+01  0.167860D+01  0.371387D+01  0.502330D+00
                91            92            93            94            95 
      1   0.390609D+01  0.150149D+00 -0.244572D+00  0.539096D+01  0.280723D-01
      2   0.150149D+00 -0.254721D+01  0.294017D+00  0.280723D-01  0.127835D+01
      3  -0.244572D+00  0.294017D+00 -0.786223D+00  0.884657D-01 -0.501650D+00
                96            97            98            99           100 
      1   0.884657D-01  0.341837D-01  0.607670D+00 -0.216423D+01 -0.592693D+01
      2  -0.501650D+00  0.607670D+00 -0.540389D+00  0.377941D+01 -0.329947D-02
      3   0.174445D+01 -0.216423D+01  0.377941D+01  0.156115D+01 -0.415829D+00
               101           102           103           104           105 
      1  -0.329947D-02 -0.415829D+00  0.519635D+00  0.463755D+00  0.565629D+00
      2  -0.329762D+01 -0.115728D+00  0.463755D+00 -0.439528D+00 -0.282250D+00
      3  -0.115728D+00 -0.216337D+01  0.565629D+00 -0.282250D+00 -0.860293D-01
               106           107           108           109           110 
      1  -0.530017D+00  0.647640D+00 -0.545329D+01  0.261861D+01 -0.403333D+00
      2   0.647640D+00  0.233467D+00  0.823359D-01 -0.403333D+00 -0.288892D+01
      3  -0.545329D+01  0.823359D-01  0.994664D+00 -0.488347D+00 -0.671823D+00
               111           112           113           114           115 
      1  -0.488347D+00 -0.563200D+01  0.442184D+00  0.637499D+00 -0.134311D+01
      2  -0.671823D+00  0.442184D+00 -0.540060D+00  0.615961D+00  0.808996D-01
      3  -0.137314D+01  0.637499D+00  0.615961D+00 -0.173040D+01 -0.282962D+01
               116           117           118           119           120 
      1   0.808996D-01 -0.282962D+01 -0.433678D+01  0.190188D+01  0.228495D+00
      2   0.105472D+01 -0.352809D+01  0.190188D+01  0.297300D+01 -0.127055D+00
      3  -0.352809D+01 -0.335645D+00  0.228495D+00 -0.127055D+00  0.903185D+00
               121           122           123           124           125 
      1  -0.685339D+01  0.812992D+00 -0.133551D+00 -0.107747D+00 -0.470771D+00
      2   0.812992D+00 -0.162781D+01  0.508300D+00 -0.470771D+00  0.897247D-01
      3  -0.133551D+00  0.508300D+00 -0.163585D+01  0.953651D+00 -0.373637D+01
               126           127           128           129           130 
      1   0.953651D+00  0.360526D+01  0.212573D+01  0.419262D-02  0.211360D+01
      2  -0.373637D+01  0.212573D+01  0.237363D+01  0.185250D-01  0.270513D+01
      3  -0.163988D+01  0.419262D-02  0.185250D-01  0.184701D+00  0.157732D+00
               131           132           133           134           135 
      1   0.270513D+01  0.157732D+00 -0.259650D+00  0.109115D+00 -0.118199D+00
      2   0.654922D+01  0.339903D+00  0.109115D+00  0.454363D+00  0.113828D-01
      3   0.339903D+00  0.675863D+00 -0.118199D+00  0.113828D-01  0.240118D-01
               136           137           138           139           140 
      1  -0.282346D+01  0.291556D+01  0.519278D+00  0.265766D+01 -0.396433D+01
      2   0.291556D+01 -0.307606D+01 -0.537979D+00 -0.396433D+01  0.854527D+01
      3   0.519278D+00 -0.537979D+00 -0.528449D+00 -0.570953D+00  0.116848D+01
               141           142           143           144           145 
      1  -0.570953D+00  0.593184D+00 -0.729509D+00 -0.156473D+00 -0.128930D+02
      2   0.116848D+01 -0.729509D+00  0.131802D+01  0.226003D+00  0.405567D+00
      3   0.105016D+01 -0.156473D+00  0.226003D+00  0.159615D+00  0.109654D+01
               146           147           148           149           150 
      1   0.405567D+00  0.109654D+01  0.441445D+00 -0.157369D+01 -0.217116D+00
      2  -0.791931D+00 -0.764395D-02 -0.157369D+01  0.141285D+00  0.137839D+00
      3  -0.764395D-02 -0.108854D+01 -0.217116D+00  0.137839D+00  0.732092D-01
               151           152           153           154           155 
      1   0.134777D+01 -0.205029D+00 -0.102251D+00 -0.393302D+01 -0.349623D+01
      2  -0.205029D+00  0.818266D-01  0.378522D-01 -0.349623D+01 -0.354560D+01
      3  -0.102251D+00  0.378522D-01  0.153617D+00 -0.115456D+00 -0.766751D-01
               156           157           158           159           160 
      1  -0.115456D+00 -0.334574D+01 -0.440877D+01 -0.327141D+00 -0.928391D-01
      2  -0.766751D-01 -0.440877D+01 -0.767351D+01 -0.429435D+00 -0.174665D+00
      3  -0.532363D+00 -0.327141D+00 -0.429435D+00 -0.863372D+00 -0.229976D-01
               161           162           163           164           165 
      1  -0.174665D+00 -0.229976D-01  0.193405D+01 -0.178272D+01 -0.300043D+00
      2  -0.524083D+00 -0.147851D+00 -0.178272D+01  0.233186D+01  0.489199D+00
      3  -0.147851D+00 -0.960318D-01 -0.300043D+00  0.489199D+00  0.413211D+00
               166           167           168           169           170 
      1  -0.175785D+01  0.229510D+01  0.371311D+00 -0.431322D+00  0.518965D+00
      2   0.229510D+01 -0.767495D+01 -0.112214D+01  0.518965D+00 -0.103572D+01
      3   0.371311D+00 -0.112214D+01 -0.104492D+01  0.202718D-01 -0.246366D+00
               171 
      1   0.202718D-01
      2  -0.246366D+00
      3  -0.227006D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.144206D+01  0.921990D+00  0.316035D+01 -0.241479D+01  0.691330D+00
      2   0.832879D+00 -0.276563D+01  0.955766D+01  0.106045D+00  0.318674D+01
      3   0.175017D+01 -0.967990D+01  0.179468D+01 -0.993372D+00  0.102816D+02
                 6             7             8             9            10 
      1  -0.671173D+01 -0.154635D-01  0.116303D+01 -0.725906D+01 -0.378484D+00
      2  -0.221808D+01  0.340119D+01 -0.126509D+01 -0.108289D+02  0.185499D+01
      3  -0.242895D+01  0.153947D+01 -0.188443D+01  0.887562D+00 -0.220246D+01
                11            12            13            14            15 
      1   0.432464D+00 -0.121727D+00  0.307956D+01  0.162046D+01 -0.236508D+00
      2   0.510780D+00 -0.131915D+01 -0.571422D+00 -0.382929D+01  0.371348D+01
      3   0.180495D+01 -0.204901D-01  0.144888D+02  0.354446D-02  0.209322D+01
                16            17            18            19            20 
      1   0.288827D+00  0.409962D+01 -0.186701D+01  0.424460D+00 -0.408040D+00
      2  -0.119435D+02  0.439856D+01  0.936231D+01  0.298793D+01  0.267935D+00
      3   0.454091D+00  0.387705D+01 -0.657038D+01  0.118424D+01  0.875689D+00
                21            22            23            24            25 
      1  -0.221366D+01 -0.218690D+00  0.130840D+01  0.301516D+00  0.381792D+00
      2  -0.348985D+01 -0.114222D+01  0.969977D+00  0.930444D+00 -0.247599D+01
      3  -0.997879D+00  0.984268D+00  0.528130D+00 -0.718030D+00 -0.402633D+00
                26            27            28            29            30 
      1   0.917217D+00  0.102275D+02 -0.155429D+00 -0.133346D+01  0.731031D-01
      2  -0.250272D+01  0.156155D+02 -0.198756D+01  0.491415D+00  0.281075D+01
      3  -0.273250D+01  0.325935D+01  0.545241D+00 -0.328922D+01 -0.299216D+00
                31            32            33            34            35 
      1  -0.164616D+01  0.948433D+00 -0.626676D+00  0.909672D-01  0.231299D+01
      2   0.146690D+00 -0.809738D+00 -0.322916D+01  0.928232D+00 -0.288143D+01
      3  -0.212782D+01  0.208599D+01  0.234442D+01 -0.274614D+00  0.274250D+01
                36            37            38            39            40 
      1  -0.228480D+00 -0.207057D+01 -0.455484D+00 -0.247496D+01 -0.985969D+00
      2  -0.123283D+02  0.297511D+01  0.131405D+00  0.598168D+01  0.543756D+00
      3   0.382892D+01 -0.180285D+02 -0.863007D+01  0.247166D+01 -0.124841D+01
                41            42            43            44            45 
      1  -0.393938D+01  0.301114D+01  0.783472D+00  0.699911D+01  0.404371D+01
      2   0.505795D+01 -0.102812D+02 -0.953069D+00 -0.104301D+02 -0.901936D+01
      3   0.635285D+01 -0.544655D+01  0.226308D+01 -0.485388D+01  0.133350D+02
                46            47            48            49            50 
      1   0.591276D+00  0.124201D+01  0.132980D+01  0.294380D+01 -0.168267D+01
      2  -0.180050D+01 -0.601558D+00 -0.815408D+00 -0.647075D+00 -0.406055D+00
      3   0.676554D+01  0.608967D+01  0.484808D-01  0.163349D+02  0.811568D+00
                51            52            53            54            55 
      1   0.121358D+01  0.446522D+00  0.105827D+02  0.139692D+01 -0.614800D+00
      2  -0.586891D+00 -0.128580D+02 -0.565320D+00  0.245133D-01  0.280664D+01
      3  -0.400314D+00 -0.160306D+01 -0.282862D+01  0.411426D+00 -0.981795D+00
                56            57            58            59            60 
      1  -0.207459D+00  0.869501D+00 -0.158456D+00 -0.129211D+01 -0.395962D+01
      2  -0.160550D+00 -0.109393D+01 -0.388768D+00  0.298109D+01  0.496087D+01
      3   0.158467D+01  0.140447D+01  0.218436D+01 -0.491305D+01 -0.327644D+01
                61            62            63            64            65 
      1  -0.636542D+00 -0.687429D+00 -0.860179D+01  0.490010D+00  0.789526D-01
      2  -0.164241D+01  0.586384D+01  0.157183D+02 -0.239206D+01  0.568875D+00
      3   0.163194D+01 -0.552951D+01 -0.694450D+01 -0.251296D+01  0.285987D+01
                66            67            68            69            70 
      1   0.127003D+01  0.157255D+00  0.152347D+01 -0.478370D+01  0.375515D+00
      2  -0.129257D+01  0.771917D+00 -0.595251D+01  0.624764D+01 -0.204585D+01
      3  -0.209417D+01  0.411023D+01 -0.142647D+02  0.726316D+01 -0.222358D+01
                71            72            73            74            75 
      1  -0.119766D+01  0.376116D+01  0.289816D+00 -0.304425D+00 -0.130886D+01
      2   0.567856D+01 -0.670790D+01 -0.480026D+00  0.216321D+00  0.566482D+01
      3   0.821523D+01 -0.745436D+01  0.132791D+02 -0.586914D+01 -0.992927D+00
                76            77            78            79            80 
      1  -0.159872D+00  0.362943D+00 -0.481765D+00 -0.104893D+01  0.530496D+00
      2   0.687703D-02 -0.517079D+00 -0.320027D+00  0.208849D+01  0.993496D+00
      3  -0.275433D+01  0.223968D+01  0.910001D+00 -0.112045D+01  0.141128D+01
                81            82            83            84            85 
      1  -0.150338D+00 -0.148612D+01  0.224529D+00 -0.208561D+01  0.988409D+00
      2   0.329627D-01 -0.230002D+01 -0.514309D-01 -0.108624D+01  0.249295D+01
      3  -0.266195D+00 -0.718427D+01 -0.104071D+01  0.130842D+01  0.560380D+01
                86            87            88            89            90 
      1   0.270845D+00 -0.215605D+01 -0.599442D+01  0.247931D+01  0.562560D+00
      2  -0.359054D+00 -0.955410D+00 -0.135101D+02 -0.226088D+00  0.715546D+00
      3   0.478376D+01 -0.720059D+00  0.173945D+01  0.316186D+00  0.522868D+01
                91            92            93            94            95 
      1   0.176303D+01 -0.700516D+00  0.132464D+01  0.383097D-01  0.808033D-01
      2   0.192125D+00  0.408763D+00  0.997741D+00  0.811544D+00  0.188309D+01
      3   0.407683D+01 -0.111241D+02 -0.113180D+01  0.551596D+01  0.162799D+01
                96            97            98            99           100 
      1  -0.221138D+01  0.563131D+01  0.141530D+01 -0.667405D+00 -0.741005D-01
      2  -0.426517D+01 -0.710899D+01 -0.101844D+02 -0.207715D+01 -0.151129D+00
      3  -0.128194D+01 -0.117785D+00 -0.125008D+01  0.525756D+01 -0.740159D+00
               101           102           103           104           105 
      1   0.853285D+00  0.464591D+00  0.319865D+00 -0.182716D+01  0.136593D+01
      2   0.399857D-01  0.597138D+01 -0.225423D+01  0.302529D-01  0.102069D+00
      3  -0.663891D+01 -0.151926D+00  0.114813D+02 -0.322928D+01 -0.147698D+01
               106           107           108           109           110 
      1   0.118366D+01  0.117231D+02  0.110063D+01 -0.104718D+01 -0.449276D+00
      2   0.810644D+01 -0.524731D+00 -0.177122D+01  0.898143D+00  0.176142D+01
      3   0.187286D+01 -0.451795D+00 -0.793381D+00  0.479662D+00 -0.132258D+02
               111           112           113           114           115 
      1  -0.200491D+01  0.125014D+01  0.192711D+00 -0.172240D+01 -0.664902D+01
      2   0.206274D+01 -0.605964D+00 -0.166844D+01  0.412398D+01 -0.467348D+01
      3  -0.147993D+01  0.320378D+01  0.214753D+01  0.101256D+01  0.292872D+00
               116           117           118           119           120 
      1   0.274924D+01  0.146744D+01  0.461314D+00 -0.283742D+00  0.137388D+01
      2   0.103741D+02  0.174201D+01 -0.271931D+01  0.106248D+01 -0.840154D+00
      3   0.286833D+01 -0.427388D+01 -0.548818D+00 -0.200269D+01 -0.144450D+01
               121           122           123           124           125 
      1  -0.941952D+00 -0.444019D+00 -0.243742D+01  0.539269D+01  0.208308D+01
      2   0.352066D+00  0.626919D+00  0.188696D+01 -0.136409D+02  0.115425D+01
      3   0.153522D+01 -0.824073D+01 -0.136352D+00 -0.265036D+01  0.596713D+00
               126           127           128           129           130 
      1  -0.151663D+01  0.277047D+00  0.257126D+00 -0.143082D+01 -0.286601D+00
      2   0.205389D+01 -0.617723D+00 -0.172786D+00  0.203352D+00 -0.857795D-01
      3  -0.593814D+01  0.110605D+02  0.417861D+01 -0.911154D-01  0.724787D+01
               131           132           133           134           135 
      1  -0.277786D+00 -0.318192D+01  0.608838D+00  0.178243D+01 -0.119418D+00
      2  -0.394488D+00  0.820707D+00 -0.165157D+01 -0.430443D+00 -0.953845D-02
      3   0.675075D+01  0.474853D+00 -0.536027D+00  0.134961D+00 -0.159209D+00
               136           137           138           139           140 
      1  -0.251729D+00  0.148688D+00  0.191579D+01  0.113579D+00  0.189672D+00
      2  -0.465153D+00  0.720848D+00  0.199759D+01  0.480543D+00 -0.192035D+01
      3   0.824968D+00 -0.304068D+01 -0.410354D+00 -0.181606D+01  0.129610D+02
               141           142           143           144           145 
      1  -0.411692D+01 -0.607516D+00  0.174464D+01 -0.376149D+00 -0.123865D+00
      2  -0.328102D+01 -0.410303D+00  0.435403D+00 -0.408282D+00 -0.165803D+01
      3   0.166288D+01 -0.400944D+00  0.171573D+01  0.710539D-01 -0.407890D+00
               146           147           148           149           150 
      1  -0.351472D+00  0.272589D+00 -0.170459D+00 -0.152179D-01 -0.304217D+00
      2  -0.677449D-01  0.643588D+01  0.797626D+00 -0.278761D+00 -0.373483D+00
      3  -0.519326D+01  0.162372D+00 -0.395435D+01  0.362764D+00  0.350887D+00
               151           152           153           154           155 
      1  -0.523748D-01  0.453096D+00 -0.284133D-01  0.217179D+00  0.451122D+00
      2  -0.259343D+01 -0.409364D-01 -0.598849D+00 -0.394029D+00 -0.389112D+00
      3  -0.736898D+00  0.501179D+00  0.206627D+00 -0.114968D+01 -0.434834D+01
               156           157           158           159           160 
      1  -0.212571D+01 -0.136364D+00  0.188078D+00 -0.362588D+01  0.835684D+00
      2   0.240275D+01  0.206003D+00  0.350421D+00  0.323958D+01 -0.740350D+00
      3   0.332691D-01 -0.300543D+01 -0.121311D+02 -0.447763D+00 -0.356709D+00
               161           162           163           164           165 
      1   0.146812D+01 -0.149529D+00  0.246081D+00 -0.116293D+00  0.171199D+01
      2  -0.687917D+00  0.184987D+00  0.956847D+00 -0.589903D+00  0.156671D+00
      3  -0.127863D+01 -0.194415D+00 -0.683427D+01  0.400584D+01  0.509425D+00
               166           167           168           169           170 
      1  -0.310740D+00  0.719686D+00 -0.364170D+01 -0.390543D+00  0.206515D+01
      2  -0.102055D+01  0.104933D+01 -0.515238D+00 -0.163706D+01  0.217463D+00
      3   0.656988D+01 -0.753483D+01 -0.123611D+01  0.629295D+00 -0.156970D+01
               171 
      1  -0.214125D+00
      2  -0.242948D+00
      3   0.108264D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.183017D+02 -0.244275D+01 -0.115321D+01 -0.573617D+01 -0.239631D+01
      2  -0.792028D+01 -0.290897D+01 -0.267082D+01 -0.100422D+01  0.142360D+02
      3  -0.103814D+02  0.535172D+01  0.382403D+01  0.674038D+01 -0.118397D+02
      4  -0.165103D+02  0.205470D+02 -0.336475D+01  0.261761D+02 -0.271519D+02
      5   0.693711D+01 -0.398411D+01  0.137841D+02 -0.551766D+01  0.702648D+01
      6  -0.293591D+01  0.304084D+01 -0.546987D+01  0.476152D+01 -0.706201D+01
                 6             7             8             9            10 
      1   0.306279D+01  0.927254D+00 -0.134532D-01  0.101761D+02  0.100393D+02
      2  -0.571183D-02  0.646358D+00 -0.262911D+01  0.211353D+01 -0.611168D+01
      3  -0.305707D+01 -0.157361D+01  0.264256D+01 -0.122896D+02 -0.392761D+01
      4   0.725651D+01 -0.554227D+01  0.496131D+01 -0.913491D+01  0.503605D+01
      5  -0.508615D+01  0.131884D+02 -0.666638D+01 -0.149680D+02  0.357331D+01
      6   0.962284D+01 -0.536412D+01  0.628638D+01  0.653177D+01 -0.175133D+01
                11            12            13            14            15 
      1  -0.220377D+01  0.840817D+00 -0.452693D+01 -0.732051D+01  0.925056D+00
      2  -0.355292D+00 -0.178808D+01 -0.108344D+01 -0.114139D+01  0.140691D+01
      3   0.255906D+01  0.947264D+00  0.561038D+01  0.846189D+01 -0.233196D+01
      4  -0.185747D+02  0.930313D+00 -0.292330D+02  0.100907D+01 -0.469683D+01
      5   0.102635D+01 -0.948445D+01  0.356153D+01 -0.399584D+01  0.944509D+01
      6  -0.220686D+01  0.120601D+01 -0.243894D+01  0.209691D+01 -0.587164D+01
                16            17            18            19            20 
      1  -0.872398D+01  0.132479D+01  0.169801D+00 -0.953607D+00 -0.190284D+01
      2  -0.615203D+01  0.628362D+01  0.106822D+02 -0.451152D+00  0.104534D+01
      3   0.148760D+02 -0.760841D+01 -0.108520D+02  0.140476D+01  0.857502D+00
      4   0.427339D+01 -0.869242D+01  0.144082D+02  0.797842D-01 -0.153047D+01
      5  -0.167403D+02  0.132710D+02  0.245987D+02  0.138671D+01  0.270625D+00
      6   0.735266D+01 -0.563433D+00 -0.508671D+01 -0.328242D+00 -0.131312D+01
                21            22            23            24            25 
      1   0.579674D+01 -0.436036D-01 -0.255678D+01 -0.195651D+00  0.571478D+01
      2  -0.214294D+00 -0.688591D+00  0.200032D+01 -0.258020D+01 -0.306998D+01
      3  -0.558244D+01  0.732195D+00  0.556461D+00  0.277585D+01 -0.264480D+01
      4  -0.863580D+00  0.101269D+01 -0.109184D+01  0.191301D+01 -0.477678D+01
      5  -0.349771D+01  0.817847D-01  0.149576D+01  0.164766D+01  0.515876D+01
      6   0.311761D+01  0.390962D+00 -0.140134D+01  0.262793D+01 -0.929332D+00
                26            27            28            29            30 
      1   0.238055D+01 -0.138951D+02  0.478256D+01 -0.810146D+00 -0.406150D+01
      2  -0.132821D+01 -0.847429D+01 -0.608672D+01  0.114399D+01  0.467846D+01
      3  -0.105234D+01  0.223694D+02  0.130416D+01 -0.333842D+00 -0.616960D+00
      4   0.613837D+01 -0.218561D+01 -0.296063D+01  0.653280D+01  0.235110D+01
      5  -0.401410D+01  0.242799D+02 -0.982300D+01  0.231824D+01  0.116407D+02
      6   0.448299D+01 -0.136591D+02  0.249350D+01 -0.374606D+00 -0.134190D+01
                31            32            33            34            35 
      1  -0.334249D+00 -0.213767D+01 -0.262925D+01 -0.339153D+01 -0.319716D+01
      2   0.164784D+01 -0.501896D+00 -0.805940D+00  0.961983D+01 -0.194073D+01
      3  -0.131359D+01  0.263956D+01  0.343519D+01 -0.622830D+01  0.513789D+01
      4   0.957580D+01 -0.562112D+01 -0.566890D+01  0.380615D+01 -0.688327D+01
      5   0.339019D+01 -0.512808D+01 -0.760864D+01  0.184327D+02 -0.792046D+01
      6  -0.194654D+01  0.388718D+01  0.829627D+01 -0.455795D+01  0.568392D+01
                36            37            38            39            40 
      1  -0.101544D+02 -0.514519D+02  0.116896D+01  0.650131D+01  0.144388D+02
      2  -0.155903D+02  0.323469D+02  0.471127D+01 -0.435533D+01 -0.316505D+01
      3   0.257446D+02  0.191050D+02 -0.588023D+01 -0.214598D+01 -0.112737D+02
      4  -0.903891D+01  0.255131D+01  0.172480D+02 -0.349825D-01  0.202263D+02
      5  -0.312843D+02  0.732043D+01 -0.128491D+01  0.791438D+01 -0.163444D+01
      6   0.957819D+01  0.315272D+01 -0.946347D+00  0.561852D+01 -0.559339D+00
                41            42            43            44            45 
      1   0.169136D+02 -0.512998D+01  0.736905D+01 -0.333371D+01  0.165648D+02
      2  -0.705495D+01  0.656708D+01 -0.231524D+01  0.602483D+01 -0.116336D+02
      3  -0.985868D+01 -0.143710D+01 -0.505381D+01 -0.269112D+01 -0.493125D+01
      4   0.369771D+01  0.720910D+01  0.206959D+01  0.838141D+01 -0.150295D+02
      5   0.736389D+01 -0.174246D+02  0.355538D+01 -0.173950D+02 -0.175814D+02
      6   0.803424D+01 -0.111114D+02  0.684283D+00 -0.129554D+02 -0.661953D+01
                46            47            48            49            50 
      1  -0.220417D+02 -0.456231D+00 -0.754769D+00  0.237669D+01 -0.766134D+01
      2   0.749020D+01  0.622364D+00 -0.494245D+00  0.642967D+00  0.131996D+02
      3   0.145515D+02 -0.166132D+00  0.124901D+01 -0.301966D+01 -0.553825D+01
      4  -0.850325D+01  0.533872D+01 -0.171070D+00 -0.123028D+02  0.223421D+01
      5  -0.271031D+01 -0.111266D+00  0.248090D+01 -0.167368D+01  0.880757D+00
      6  -0.667666D+00 -0.683001D+00 -0.157948D+01  0.166639D+01  0.186143D+01
                51            52            53            54            55 
      1  -0.485727D-01  0.409709D+01  0.123599D+00 -0.100999D+02  0.282879D+01
      2   0.214947D+01 -0.158416D+01  0.723149D+00 -0.423123D+01 -0.234605D+01
      3  -0.210090D+01 -0.251293D+01 -0.846748D+00  0.143311D+02 -0.482737D+00
      4   0.123334D+01 -0.104516D+01  0.199107D+01 -0.114735D+01  0.248318D+00
      5  -0.167431D+01  0.361620D+01 -0.130104D+01  0.188617D+00  0.225153D+01
      6  -0.283621D+01  0.399224D+00  0.280443D+01 -0.187599D+01  0.234156D+01
                56            57            58            59            60 
      1   0.214846D+01  0.417649D+01  0.157850D+01 -0.683500D+01 -0.417032D+01
      2  -0.211436D+01 -0.121859D+01 -0.207044D+00  0.703513D+01  0.405991D+01
      3  -0.340983D-01 -0.295790D+01 -0.137146D+01 -0.200133D+00  0.110415D+00
      4  -0.148204D+01  0.172912D+01  0.291262D+01  0.812285D+01  0.532541D+01
      5   0.493129D+00 -0.822726D-01  0.131906D+01  0.549345D+01  0.873253D+01
      6  -0.534654D+00 -0.171000D+01  0.802084D+00  0.564208D+01  0.103210D+02
                61            62            63            64            65 
      1   0.793010D+01 -0.398960D+01 -0.123643D+02  0.211656D+00  0.510212D+01
      2  -0.406597D+01  0.428552D+01 -0.592441D-01  0.658188D+00 -0.451596D+01
      3  -0.386413D+01 -0.295919D+00  0.124236D+02 -0.869844D+00 -0.586162D+00
      4   0.787509D+01  0.105689D+02  0.984376D+01  0.634490D+00 -0.731871D+00
      5   0.669720D+01  0.113481D+02  0.285373D+02 -0.214448D+01  0.135554D+00
      6   0.180772D+01  0.109138D+02  0.185213D+02 -0.282538D+01  0.200320D+01
                66            67            68            69            70 
      1  -0.489198D+01  0.500045D+01 -0.156913D+02  0.859448D+01 -0.624246D+01
      2   0.253010D+01 -0.229827D+01  0.218126D+02 -0.942316D+01  0.267078D+01
      3   0.236188D+01 -0.270218D+01 -0.612136D+01  0.828678D+00  0.357167D+01
      4  -0.110525D+01  0.634943D+01  0.223696D+02 -0.107409D+02 -0.644267D+01
      5  -0.101406D+01 -0.172223D+01 -0.112052D+02  0.119947D+02  0.335506D+01
      6  -0.289203D+01 -0.806176D+00 -0.132926D+02  0.125867D+02  0.662911D+00
                71            72            73            74            75 
      1   0.840356D+01 -0.114789D+02  0.839249D+02  0.817591D+00 -0.504782D+01
      2  -0.914992D+01  0.532763D+01 -0.452295D+02  0.166579D+01  0.333230D+01
      3   0.746362D+00  0.615127D+01 -0.386954D+02 -0.248338D+01  0.171552D+01
      4  -0.140440D+02  0.104105D+02  0.172567D+02  0.108626D+02 -0.109036D+01
      5   0.116938D+02 -0.121702D+02 -0.756115D+01 -0.177321D+00  0.108177D+02
      6   0.128266D+02 -0.126389D+02 -0.182671D+01 -0.368594D+00  0.255436D+01
                76            77            78            79            80 
      1  -0.124731D+02  0.541714D+01  0.105795D+01 -0.610352D+01  0.424363D+00
      2   0.858704D+01 -0.258213D+01 -0.120986D+01  0.400323D+01 -0.106436D+01
      3   0.388605D+01 -0.283501D+01  0.151912D+00  0.210028D+01  0.640000D+00
      4   0.701293D+01 -0.173848D+01 -0.135421D+01 -0.153301D+01 -0.243004D+01
      5   0.789609D+00 -0.157556D+01 -0.103876D+01  0.114266D+02  0.163566D+01
      6  -0.196795D+00 -0.571634D+00  0.154387D+01  0.171616D+01  0.236208D+01
                81            82            83            84            85 
      1   0.564753D+01  0.468033D+01 -0.158607D+02 -0.286101D+01  0.340133D+00
      2  -0.411021D+01 -0.432977D+01  0.122083D+02  0.150719D+01 -0.107388D+02
      3  -0.153732D+01 -0.350563D+00  0.365245D+01  0.135382D+01  0.103987D+02
      4   0.256652D+01 -0.979544D+01 -0.125015D+02  0.531569D+00  0.652504D+01
      5  -0.160815D+01 -0.112314D+01  0.887494D+00 -0.209942D+01  0.418491D+00
      6   0.209832D+00  0.290849D+01  0.193769D+01  0.463588D+01 -0.440242D+01
                86            87            88            89            90 
      1   0.322219D+01  0.156569D+01 -0.881053D+00  0.412599D+01 -0.149348D+02
      2  -0.761607D+01 -0.130735D+01 -0.896439D+00 -0.503544D+01  0.307381D+01
      3   0.439388D+01 -0.258339D+00  0.177749D+01  0.909451D+00  0.118610D+02
      4  -0.131734D+02 -0.142213D+01  0.310691D-01  0.217197D+01 -0.289937D+01
      5  -0.143419D+01  0.117305D-01  0.290076D+01 -0.319674D+01  0.160193D+01
      6  -0.227874D+01  0.567991D+01  0.447206D+01  0.155110D+02 -0.766008D+00
                91            92            93            94            95 
      1   0.187410D+01  0.208301D+02  0.721732D+00 -0.247018D+02  0.102022D+02
      2  -0.337163D+01 -0.139647D+02 -0.538017D+00  0.226009D+02 -0.142948D+02
      3   0.149753D+01 -0.686542D+01 -0.183714D+00  0.210090D+01  0.409259D+01
      4   0.137369D+02 -0.432352D+01 -0.462060D+01  0.796100D+01  0.544161D+01
      5   0.277524D+01 -0.500754D+01  0.988185D+00 -0.208598D+00  0.323711D+01
      6  -0.464633D+01  0.250245D+01 -0.356517D+01  0.257246D+01 -0.592941D+01
                96            97            98            99           100 
      1   0.184567D+01 -0.104096D+01 -0.297565D+01 -0.424721D+01 -0.804807D+01
      2  -0.409312D+01  0.422614D+01 -0.283142D+01 -0.368807D+01  0.539766D+01
      3   0.224745D+01 -0.318518D+01  0.580707D+01  0.793529D+01  0.265041D+01
      4   0.318501D+01 -0.474644D+01  0.689185D+01 -0.165208D+02  0.114857D+01
      5  -0.905420D+01  0.133354D+02 -0.166379D+02 -0.471895D+01  0.718579D+01
      6   0.475279D+01 -0.751157D+01  0.150133D+02  0.257006D+01  0.470438D+00
               101           102           103           104           105 
      1   0.146733D+01  0.509908D+01 -0.268318D+01 -0.217084D+02 -0.383150D+01
      2  -0.114996D+01 -0.325103D+01  0.194954D+01  0.183091D+02  0.507122D+01
      3  -0.317365D+00 -0.184805D+01  0.733642D+00  0.339927D+01 -0.123972D+01
      4   0.222195D+02  0.763799D+00 -0.210970D+02  0.548909D+01  0.333190D+01
      5   0.727874D+00  0.134272D+02 -0.668706D+01  0.290218D+01  0.211980D+00
      6  -0.664510D+00 -0.963664D+00  0.298415D+01  0.172971D+01 -0.329416D+01
               106           107           108           109           110 
      1   0.903925D+01 -0.450781D+01  0.156904D+02  0.199788D+01 -0.220831D+02
      2  -0.355356D+01  0.377860D+01 -0.192849D+02 -0.411834D+01  0.134891D+02
      3  -0.548569D+01  0.729209D+00  0.359453D+01  0.212047D+01  0.859402D+01
      4  -0.726841D+01 -0.851673D+00 -0.726085D+00 -0.178537D+02  0.217645D+01
      5   0.364609D+02 -0.145747D+00 -0.421055D+01 -0.247399D+00  0.435667D+01
      6  -0.932865D+00  0.379311D+01 -0.201693D+01  0.276293D+01  0.270432D+01
               111           112           113           114           115 
      1  -0.301705D+01  0.250851D+02  0.758171D+01  0.239699D+00  0.526465D+01
      2   0.566367D+00 -0.234451D+02 -0.119919D+02 -0.115568D+00 -0.558371D+01
      3   0.245068D+01 -0.163995D+01  0.441017D+01 -0.124131D+00  0.319065D+00
      4   0.402055D+01  0.536345D+01 -0.121329D+02 -0.507487D+01  0.255306D+01
      5   0.445480D+01 -0.211903D+01 -0.467566D+01  0.887494D+01  0.174723D+02
      6   0.459057D+01 -0.412632D+01 -0.279560D+01  0.465023D+01  0.867171D+01
               116           117           118           119           120 
      1   0.532851D+01 -0.533851D-01  0.752090D+01  0.128921D+02 -0.203508D+00
      2  -0.587467D+01 -0.604840D+01 -0.596033D+01 -0.982469D+01  0.623927D+00
      3   0.546158D+00  0.610179D+01 -0.156057D+01 -0.306745D+01 -0.420419D+00
      4  -0.432530D+01  0.157674D+02  0.119563D+02 -0.169024D+02 -0.275678D+01
      5   0.164506D+02  0.403897D+01  0.519494D+00 -0.307718D+01 -0.318520D+01
      6   0.136399D+02 -0.173258D+01 -0.243277D+01  0.141962D+01 -0.297184D+01
               121           122           123           124           125 
      1  -0.712243D+00  0.689191D+01  0.343346D+01 -0.140314D+01 -0.181572D+00
      2   0.831714D+01 -0.111874D+02 -0.396318D+01  0.324932D+01 -0.400024D+01
      3  -0.760490D+01  0.429544D+01  0.529727D+00 -0.184618D+01  0.418181D+01
      4   0.104275D+02  0.129073D+02  0.125996D+01  0.121318D+01  0.351017D+01
      5   0.126697D+01  0.114377D+01  0.114376D+01  0.356043D-01  0.485260D+01
      6   0.287526D+01 -0.581914D+01  0.461557D+01 -0.445496D+01  0.149920D+02
               126           127           128           129           130 
      1  -0.159135D+02 -0.854250D+00 -0.653824D+01 -0.780867D-02 -0.802243D+01
      2   0.227110D+01  0.411984D+01  0.964927D+01  0.174288D+00  0.115500D+02
      3   0.136424D+02 -0.326559D+01 -0.311104D+01 -0.166480D+00 -0.352754D+01
      4   0.504042D+01  0.911601D+01  0.725740D+01  0.340193D+00  0.700963D+01
      5   0.422536D+01  0.309737D+00  0.525913D+00  0.629685D+00  0.568736D+00
      6   0.465055D+01 -0.352452D+00 -0.177958D+00  0.154461D+01  0.669935D+00
               131           132           133           134           135 
      1  -0.231051D+02 -0.122149D+01 -0.874269D+00 -0.159172D+01 -0.629645D+00
      2   0.321411D+02  0.112549D+01  0.879071D+00  0.213311D+01  0.101756D+01
      3  -0.903602D+01  0.960002D-01 -0.480226D-02 -0.541394D+00 -0.387915D+00
      4   0.618238D+01  0.314570D+00  0.192283D+00 -0.287711D+00  0.125779D+01
      5   0.885246D+00  0.780338D+00  0.561399D+00  0.820841D+00 -0.293700D-01
      6   0.132092D+01  0.501518D+01  0.452784D+00  0.125409D+01  0.501763D+00
               136           137           138           139           140 
      1   0.822166D+01 -0.635618D+01 -0.870750D+00 -0.131720D+01 -0.101825D+02
      2   0.233386D+01 -0.480447D+01 -0.945288D-01 -0.107474D+02  0.320783D+02
      3  -0.105555D+02  0.111606D+02  0.965279D+00  0.120646D+02 -0.218958D+02
      4  -0.222706D+02  0.254080D+02  0.393649D+01  0.273022D+02 -0.477232D+02
      5  -0.331099D+01  0.349548D+01  0.465767D+01  0.337440D+01 -0.536186D+01
      6   0.254541D+01 -0.295338D+01 -0.295423D+01 -0.347543D+01  0.747266D+01
               141           142           143           144           145 
      1  -0.160064D+01 -0.828286D+00 -0.640832D+00 -0.113637D+01  0.978908D+02
      2   0.295000D+01 -0.116313D+01  0.352061D+01  0.183230D+01 -0.563891D+02
      3  -0.134937D+01  0.199142D+01 -0.287978D+01 -0.695928D+00 -0.415018D+02
      4  -0.624177D+01  0.507601D+01 -0.750953D+01 -0.254866D+01 -0.581373D+01
      5  -0.552541D+01  0.163193D+01 -0.185827D+01 -0.132822D+01 -0.977873D+01
      6   0.752776D+01 -0.161291D+01  0.329019D+01  0.180020D+01 -0.111632D+01
               146           147           148           149           150 
      1  -0.275589D+01 -0.690025D+01 -0.264537D+01  0.923699D+01  0.918177D+00
      2   0.131465D+01  0.483408D+01  0.116869D+01 -0.464546D+01 -0.772221D+00
      3   0.144125D+01  0.206617D+01  0.147668D+01 -0.459152D+01 -0.145956D+00
      4   0.862586D+01  0.226744D+00  0.146039D+02 -0.150155D+01 -0.119821D+01
      5   0.644906D-01  0.112266D+02  0.168199D+01 -0.109137D+01 -0.578942D+00
      6  -0.502857D+00 -0.219577D+00 -0.857639D+00 -0.111587D+00  0.154003D+01
               151           152           153           154           155 
      1  -0.955414D+01  0.998330D+00  0.330541D+01  0.152957D+02  0.104196D+02
      2   0.571408D+01 -0.681398D+00 -0.218442D+01 -0.748393D+00  0.319547D+01
      3   0.384007D+01 -0.316932D+00 -0.112099D+01 -0.145473D+02 -0.136151D+02
      4   0.198275D+01 -0.953501D+00 -0.472584D+00  0.280357D+02  0.288053D+02
      5   0.330011D+01 -0.325739D+00 -0.200509D+01  0.186954D+01  0.136507D+01
      6  -0.791156D-01  0.819522D+00  0.271788D+00  0.370139D+00  0.203848D+00
               156           157           158           159           160 
      1   0.636588D+00  0.570686D+01 -0.159534D+01  0.147561D+00 -0.662212D+00
      2  -0.208868D+00  0.857697D+01  0.231406D+02  0.366945D+00  0.984826D+00
      3  -0.427720D+00 -0.142838D+02 -0.215453D+02 -0.514506D+00 -0.322614D+00
      4   0.932666D+00  0.313462D+02  0.465637D+02  0.261816D+01  0.114729D+01
      5   0.494226D+01  0.274900D+01  0.351204D+01  0.536283D+01  0.139872D+01
      6   0.294496D+01  0.148166D+01  0.213671D+01  0.605791D+01  0.120596D+01
               161           162           163           164           165 
      1  -0.869086D+00 -0.673111D+00 -0.527109D+01  0.822972D+01  0.210296D+01
      2   0.167059D+01  0.125874D+01  0.624147D+01 -0.102402D+02 -0.146594D+01
      3  -0.801502D+00 -0.585633D+00 -0.970380D+00  0.201050D+01 -0.637018D+00
      4   0.248720D+01  0.218901D+01 -0.484287D+01  0.639191D+01  0.100812D+01
      5   0.131402D+01  0.417087D+00 -0.350156D+00  0.738722D+00  0.101057D+01
      6   0.233318D+01  0.717005D+00  0.183792D+01 -0.308608D+01 -0.254476D+01
               166           167           168           169           170 
      1   0.783669D+01 -0.285202D+02 -0.480532D+01  0.131037D+01 -0.365129D+01
      2  -0.999698D+01  0.375523D+02  0.426367D+01 -0.166245D+01  0.427329D+01
      3   0.216029D+01 -0.903206D+01  0.541645D+00  0.352078D+00 -0.622000D+00
      4   0.554033D+01 -0.263371D+01 -0.169597D+00  0.113487D+01 -0.112482D+01
      5   0.360935D+00  0.527106D+00 -0.214553D+00  0.925280D+00 -0.675698D+00
      6  -0.231526D+01  0.784353D+01  0.688711D+01 -0.733110D+00  0.287916D+01
               171 
      1  -0.171444D+01
      2   0.198669D+01
      3  -0.272248D+00
      4  -0.177979D+01
      5  -0.903961D+00
      6   0.180660D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x         -0.294882D+00     -0.749515D+00     -0.250011D+01
   y          0.452113D+00      0.114916D+01      0.383318D+01
   z          0.166018D+00      0.421975D+00      0.140756D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.120305D+03      0.178273D+02      0.198356D+02
   yx         0.144257D+01      0.213768D+00      0.237848D+00
   yy         0.100120D+03      0.148362D+02      0.165075D+02
   zx        -0.312062D+01     -0.462429D+00     -0.514521D+00
   zy         0.277415D+01      0.411086D+00      0.457395D+00
   zz         0.639037D+02      0.946955D+01      0.105363D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100230D+03      0.148526D+02      0.165257D+02
   aniso      0.514229D+02      0.762008D+01      0.847848D+01
   xx         0.126712D+03      0.187768D+02      0.208920D+02
   yx         0.124953D+01      0.185162D+00      0.206020D+00
   yy         0.105367D+03      0.156138D+02      0.173727D+02
   zx        -0.292046D+01     -0.432767D+00     -0.481518D+00
   zy         0.276328D+01      0.409476D+00      0.455604D+00
   zz         0.686116D+02      0.101672D+02      0.113125D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          2.91630733         -0.54809632         -3.75648775
     6          2.03584781          1.37546607         -2.06379319
     1          3.48471282         -1.96037188         -2.75312639
     1          1.12312838          2.74113870         -3.31901559
     6          4.25077228          2.67799289         -0.77245184
     6          0.03477746          0.32698751         -0.29086232
     1          5.21797949          1.39477620          0.52446011
     1          3.64220597          4.33616565          0.29163633
     1          5.59685222          3.28687707         -2.20588407
     6          0.02233634          0.79733187          2.29921841
     6         -1.86192073         -0.20086528          3.83961783
     6         -3.76341492         -1.68288336          2.80933192
     6         -3.77180702         -2.16364185          0.22373567
     6         -1.89302783         -1.16613933         -1.30662714
     1          1.48516440          1.94665457          3.14284151
     1         -1.83517165          0.18321237          5.84889601
     1         -5.22840408         -2.45955908          4.00686284
     1         -5.24927065         -3.31489933         -0.59936625
     1         -1.88903025         -1.55472256         -3.31441121

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.564733D+00      0.143541D+01      0.478801D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.101919D+03      0.151029D+02      0.168043D+02
   yx         0.224706D+02      0.332980D+01      0.370490D+01
   yy         0.788575D+02      0.116855D+02      0.130018D+02
   zx        -0.116601D+02     -0.172784D+01     -0.192248D+01
   zy         0.214415D+01      0.317730D+00      0.353522D+00
   zz         0.103551D+03      0.153447D+02      0.170733D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100230D+03      0.148526D+02      0.165257D+02
   aniso      0.514229D+02      0.762008D+01      0.847848D+01
   xx         0.107805D+03      0.159751D+02      0.177747D+02
   yx         0.228021D+02      0.337892D+01      0.375956D+01
   yy         0.837224D+02      0.124064D+02      0.138040D+02
   zx        -0.123243D+02     -0.182627D+01     -0.203200D+01
   zy         0.218423D+01      0.323669D+00      0.360131D+00
   zz         0.109163D+03      0.161763D+02      0.179985D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-13\Freq\RwB97XD\Gen\C8H10O1\PIERPA\12-Aug-2021\0\\#P 
 wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\O,2.162345,-1.
 239247,0.453644\C,1.655725,-0.158939,-0.34123\H,1.881072,-1.094176,1.3
 65099\H,1.854813,-0.482019,-1.367262\C,2.446699,1.114652,-0.080136\C,0
 .150796,-0.02995,-0.174166\H,2.272946,1.48673,0.932505\H,2.181966,1.90
 4257,-0.785239\H,3.509095,0.900115,-0.189137\C,-0.489673,1.190819,0.02
 6062\C,-1.872964,1.254695,0.167928\C,-2.635845,0.097346,0.110092\C,-2.
 007097,-1.127866,-0.090783\C,-0.628986,-1.188612,-0.232307\H,0.08469,2
 .105244,0.074595\H,-2.351327,2.213069,0.325179\H,-3.711408,0.146804,0.
 220623\H,-2.593574,-2.036616,-0.139348\H,-0.138964,-2.1423,-0.378921\\
 Version=ES64L-G16RevA.03\State=1-A\HF=-386.275913\RMSD=5.979e-09\RMSF=
 8.480e-06\ZeroPoint=0.1610187\Thermal=0.1693655\Dipole=-0.294882,0.452
 1133,0.1660177\DipoleDeriv=-0.7635145,0.0872415,-0.1362603,0.0734385,-
 0.6936235,0.2399813,-0.2011494,0.2687609,-0.3996865,0.6558909,-0.02715
 2,0.0770936,-0.0152332,0.6102069,-0.1928776,0.1679277,-0.2019324,0.398
 3086,0.3443509,0.0203267,0.0910065,0.0311924,0.2313408,-0.0897145,0.09
 48223,-0.0579709,0.1659451,-0.0768062,-0.0030825,0.0201378,0.0319411,-
 0.0140353,-0.0572966,0.0085438,-0.0241545,-0.1024926,-0.0464084,-0.115
 7343,-0.0127774,-0.0556379,-0.0809994,0.020231,-0.0164237,-0.0143544,0
 .1040823,0.0391634,0.0028777,-0.0652457,-0.0765209,-0.0991649,0.037814
 5,-0.0896811,0.0218409,-0.0919894,0.0570413,0.0137093,0.0650201,-0.016
 2902,0.0185518,-0.0273081,0.0251132,-0.0626053,-0.1141065,0.0636773,0.
 0501971,-0.0527717,0.0139442,-0.0569204,0.0721572,-0.0424666,0.0838199
 ,-0.0224204,-0.1456901,-0.0047211,0.0168882,0.0486401,0.0587428,-0.011
 9546,0.013506,-0.0123688,0.0717423,-0.0770317,0.063078,0.0007887,0.062
 7726,0.0033508,-0.0057414,-0.0030843,0.0065636,-0.117503,-0.0255355,-0
 .0601935,-0.026557,-0.0778373,0.084663,0.030303,-0.0159996,0.0290232,-
 0.1266587,0.0586769,-0.011735,-0.0277135,0.0022027,-0.0660034,0.014773
 8,-0.018167,0.008298,-0.1341543,0.0026963,0.0856934,0.0013978,0.062507
 1,0.0762844,0.0163347,-0.0070518,0.0183298,-0.1341575,-0.1189782,-0.07
 76135,-0.0142587,-0.0442847,0.0358557,0.0370473,0.0191385,0.0120613,-0
 .1183364,0.0481527,-0.0747966,0.0024193,-0.0859442,-0.0355612,-0.00937
 09,-0.0025966,-0.0097598,0.1147567,0.0204283,0.0621735,0.0152158,0.074
 876,-0.0680796,-0.029109,0.0202237,-0.0289529,0.1271149,-0.1064743,0.0
 070685,0.0232569,0.0067687,0.0700715,-0.0079947,0.0266875,-0.0079824,0
 .1322011,0.0024036,-0.078074,0.0010175,-0.0854271,-0.0530037,-0.014019
 8,-0.0023544,-0.0134946,0.1295884,0.0679573,0.0607368,0.0213419,0.0488
 923,-0.0216764,-0.0232557,0.0230118,-0.0151213,0.1177659\Polar=120.304
 6293,1.4425748,100.1198629,-3.1206241,2.7741465,63.9036978\Quadrupole=
 -0.2338376,0.5731987,-0.3393611,2.6894512,-0.2079546,0.1005839\PG=C01 
 [X(C8H10O1)]\NImag=0\\0.15299439,-0.10455864,0.23844678,-0.10531567,-0
 .01994151,0.58700919,-0.08025813,0.03944975,-0.02515981,0.46918356,0.0
 3243816,-0.13961426,0.06258082,0.01909803,0.46582590,-0.00369216,0.025
 29726,-0.12161881,-0.03259642,0.05702364,0.57147682,-0.05822747,0.0375
 0705,0.15241332,0.00193752,0.00100998,-0.01809092,0.05558435,0.0464048
 5,-0.04562151,-0.09141021,-0.00753748,0.00079500,0.03602425,-0.0396099
 9,0.04792350,0.12492605,-0.05092377,-0.44257553,0.00712885,-0.00499985
 ,-0.02731460,-0.13061182,0.05298886,0.46644006,0.00389446,0.00036669,-
 0.01489831,-0.05781143,0.01317601,0.05181958,-0.00053622,0.00142006,-0
 .00221732,0.06662278,-0.00219931,0.00082592,0.03514629,0.01346824,-0.0
 7100778,-0.08314154,0.00228327,-0.00311193,0.00496670,-0.01587269,0.08
 598926,0.00058304,0.00588636,-0.02873131,0.04315028,-0.07329871,-0.260
 47505,-0.00296962,0.00281143,-0.00083498,-0.04516570,0.07260370,0.2939
 7518,0.00715279,0.01372047,-0.00072215,-0.11224514,-0.05001328,-0.0120
 9181,-0.00031631,-0.00037414,0.00079396,0.00284947,0.00330667,0.000860
 26,0.55001931,-0.00716593,-0.04045275,0.00742887,-0.04602503,-0.142845
 22,-0.02270560,0.00016062,0.00085086,-0.00010002,-0.00809888,-0.011296
 99,-0.00442809,-0.05244911,0.50247000,0.00724823,0.03109650,-0.0000897
 8,-0.01420780,-0.03022421,-0.08729194,0.00071877,0.00198290,0.00196000
 ,-0.01708200,-0.02730706,-0.00508392,-0.00858901,-0.01621250,0.5648344
 9,-0.02111735,0.01472787,-0.00495505,-0.17640772,-0.00038325,0.0144812
 5,0.00214056,-0.00019166,-0.00026855,-0.01207702,0.00180357,0.00408691
 ,-0.02050004,-0.00471413,0.00409286,0.61158087,0.03656524,-0.01368893,
 0.00478758,-0.00284776,-0.09187299,-0.00372580,-0.00059220,0.00079172,
 -0.00156838,0.01139373,0.00090866,-0.00304976,-0.02881498,0.00584814,0
 .00406293,-0.00440087,0.66885226,-0.02307821,0.01129535,0.00018744,0.0
 2127746,-0.00845706,-0.07829855,-0.00167015,-0.00019825,0.00230453,0.0
 2934283,-0.00274707,-0.00164811,-0.00571569,-0.00063062,0.00255442,-0.
 04428023,0.05153375,0.18856217,-0.00017065,0.00168484,0.00010463,0.002
 62067,-0.00590116,-0.01877589,0.00040626,0.00011276,0.00052876,-0.0013
 5619,-0.00328689,-0.00058612,-0.05439771,0.01390310,0.04149174,0.00116
 798,0.00029214,-0.00050725,0.05603579,0.00048190,0.00290869,0.00094729
 ,0.00457597,-0.01074306,-0.02903174,-0.00033092,-0.00084355,0.00056169
 ,-0.00329808,-0.00429681,-0.00056556,0.01454796,-0.07548742,-0.0783066
 1,0.00181964,0.00078264,0.00076241,-0.01364481,0.08129308,0.00009494,-
 0.00048151,0.00274309,0.00018005,-0.00121907,-0.00805882,0.00012687,-0
 .00081786,-0.00002143,-0.00106850,-0.00092214,0.00147060,0.03968278,-0
 .07865132,-0.26891540,0.00089525,-0.00002340,0.00040959,-0.04396158,0.
 08921930,0.29271830,-0.00000475,-0.00472882,0.00036517,0.00463764,-0.0
 0879189,0.01278387,-0.00004290,0.00005178,-0.00028664,0.00063920,0.000
 66655,-0.00008553,-0.06293762,0.04583752,-0.04338951,0.00004989,0.0005
 4827,-0.00031971,0.00035211,-0.00468032,0.00382842,0.06572740,-0.00325
 451,-0.00793015,0.00059529,0.01077736,-0.01415410,0.01897481,0.0001054
 6,-0.00021108,-0.00071381,0.00054588,0.00074088,-0.00062697,0.04426474
 ,-0.18269593,0.12103513,0.00014345,0.00027470,-0.00033612,-0.00317608,
 0.00890639,-0.00720048,-0.05125484,0.19867329,-0.00006238,-0.00150524,
 0.00210447,0.00234574,-0.00392351,0.00252806,-0.00049054,-0.00088844,0
 .00018185,0.00057453,0.00048590,0.00045417,-0.04204097,0.12220423,-0.1
 5779664,-0.00018835,0.00034147,0.00034721,-0.00764973,0.02187874,-0.01
 836954,0.04718066,-0.13469298,0.16811509,0.00284922,0.00141511,0.00015
 045,-0.01948734,0.00409455,0.00150876,-0.00025516,-0.00002246,0.000009
 76,0.00071718,-0.00000589,-0.00036010,-0.29991737,0.05298028,0.0274312
 8,0.00027247,-0.00325978,-0.00111991,-0.00375368,0.00075612,0.00064146
 ,-0.00596380,0.00133460,0.00035296,0.32623991,0.00066790,0.00280818,-0
 .00066337,-0.03043244,0.00349441,0.00318649,-0.00011064,-0.00014029,0.
 00010552,0.00066110,0.00121414,0.00020340,0.05674166,-0.05692474,-0.00
 611970,-0.00117844,-0.00548121,-0.00070959,0.00963073,-0.00287129,-0.0
 0022766,0.02225405,-0.00452876,-0.00368519,-0.05705379,0.06219688,0.00
 035222,0.00033376,-0.00045427,-0.00689853,0.00170249,-0.00046894,0.000
 36333,-0.00002673,-0.00002187,-0.00033117,0.00058221,0.00020383,0.0273
 0887,-0.00648942,-0.05042261,-0.00029993,-0.00119116,0.00070087,0.0297
 5562,-0.00593340,-0.00230756,-0.02115089,0.00329728,0.00229470,-0.0287
 6421,0.00778202,0.05025925,-0.00345754,0.00227832,-0.00195579,-0.01083
 620,0.02567264,0.00563247,-0.00039963,-0.00002904,0.00014446,-0.001885
 15,0.00043549,0.00091203,-0.00172910,0.00104233,0.00089994,-0.16790161
 ,0.04352843,0.01476448,-0.00019742,0.00008864,0.00005762,-0.00116577,0
 .00044922,-0.00024621,0.00030718,0.00041345,0.00005439,0.67983899,-0.0
 0411692,0.00156069,-0.00006446,0.00873591,0.00342361,-0.00126163,0.000
 96811,-0.00024156,0.00021417,-0.00154586,-0.00016834,0.00078335,-0.000
 34352,0.00008013,-0.00043567,0.10342393,-0.27469814,-0.03312791,-0.000
 10333,0.00046415,-0.00074266,-0.00004955,-0.00022287,0.00114303,-0.000
 11969,-0.00106005,-0.00028724,0.04358099,0.70314148,-0.00182617,0.0009
 2871,-0.00040227,0.00404003,-0.00323676,0.00266612,0.00026797,-0.00027
 580,0.00024820,0.00035017,0.00008957,-0.00003903,-0.00017880,0.0005219
 5,-0.00089879,0.02075783,-0.02845305,-0.07034160,-0.00014099,0.0001462
 9,0.00045240,0.00033704,-0.00043123,0.00045024,0.00000016,-0.00018869,
 0.00022571,-0.04850493,0.06079047,0.14429541,-0.00191494,-0.00008129,0
 .00056100,0.00122789,0.00201294,0.00052432,0.00058716,0.00017974,0.000
 25853,-0.00088541,-0.00025000,-0.00017890,0.00020139,0.00005186,-0.000
 17738,-0.02039897,0.07964163,0.01171015,-0.00014112,-0.00035024,-0.000
 16738,0.00003207,-0.00026737,-0.00005020,0.00012182,0.00000744,-0.0000
 4631,-0.32411455,-0.02438982,0.02387429,0.66770476,0.00068139,-0.00013
 775,0.00064435,-0.00052999,-0.00418952,-0.00125883,0.00005629,-0.00016
 044,-0.00002678,0.00016998,-0.00001318,-0.00045328,-0.00078524,-0.0003
 3351,0.00034695,0.03403058,0.02731623,-0.00130098,0.00011696,-0.000083
 14,0.00031668,0.00004257,0.00023632,-0.00050919,-0.00002612,0.00045226
 ,0.00001388,0.04073300,-0.12766502,-0.01162139,-0.02019450,0.72052217,
 0.00221270,-0.00108695,0.00015496,-0.00116000,-0.00109632,0.00792400,0
 .00004609,-0.00005401,-0.00044938,-0.00143340,0.00031562,-0.00013995,0
 .00013425,0.00045906,-0.00033777,0.00675000,-0.00516091,0.00434668,0.0
 0010742,0.00006110,0.00015240,0.00017883,-0.00003401,0.00004183,-0.000
 07122,0.00001057,0.00017634,0.03103437,-0.00535762,-0.06331272,-0.0550
 6500,0.06980232,0.14221462,-0.00059632,0.00003507,-0.00020890,0.000025
 02,0.00037072,0.00051833,0.00002247,-0.00014364,0.00010716,-0.00045886
 ,0.00007936,-0.00028704,-0.00005803,0.00010929,0.00021661,0.00096859,-
 0.00465803,-0.00169368,0.00007966,-0.00001292,0.00001381,-0.00002440,0
 .00002146,-0.00010221,-0.00005696,0.00008559,-0.00001635,-0.03478991,-
 0.02657247,0.00080170,-0.19219191,-0.12825382,-0.00162216,0.73818121,0
 .00154878,0.00028187,-0.00062892,0.00150581,-0.00208270,-0.00012862,-0
 .00048218,-0.00015101,-0.00026163,0.00040303,0.00049861,0.00051465,-0.
 00014107,0.00001919,0.00027718,-0.00558422,-0.06803704,-0.00667931,0.0
 0012810,0.00030924,0.00016526,-0.00000849,0.00023483,0.00001324,-0.000
 11099,-0.00003500,0.00003273,-0.07378288,0.03756803,0.00998569,-0.0644
 3597,-0.27331354,-0.01819414,0.00581702,0.65313353,0.00022573,0.000207
 67,-0.00019724,0.00021841,-0.00021589,-0.00094491,-0.00017174,-0.00000
 820,-0.00004120,0.00030727,0.00007648,0.00002818,-0.00001685,-0.000051
 64,0.00017351,-0.00121621,-0.00678968,-0.00654521,0.00002570,0.0000395
 2,-0.00004572,-0.00002055,0.00007766,-0.00002840,-0.00003144,-0.000028
 47,-0.00003087,-0.00466821,0.00627769,0.00711686,0.00570864,-0.0119728
 4,-0.06064202,-0.05870779,0.05937530,0.14026090,0.00169366,0.00075099,
 -0.00066451,0.00368229,-0.00433246,-0.00035437,-0.00062582,-0.00026404
 ,-0.00031990,0.00017317,0.00078264,0.00086800,-0.00066772,0.00022986,0
 .00045036,-0.03561372,-0.07212970,-0.00443913,0.00013342,0.00029188,0.
 00020682,0.00002326,0.00028306,-0.00004080,-0.00017794,-0.00012261,-0.
 00001514,-0.04811232,0.02910780,0.00669396,0.06421471,0.01710620,-0.00
 367579,-0.16947313,0.04629219,0.01609964,0.68341658,0.00085230,0.00105
 539,0.00020177,-0.00282558,-0.00557975,-0.00084050,-0.00001149,0.00004
 641,0.00006845,0.00036135,-0.00050067,-0.00011608,-0.00162238,0.000648
 35,-0.00001028,-0.02562911,0.03867240,0.00715699,0.00000032,-0.0001181
 5,-0.00005414,0.00011749,-0.00001966,-0.00001769,-0.00030620,-0.000432
 95,-0.00008737,0.03054816,-0.02005669,-0.00404734,-0.02957637,-0.05987
 994,-0.00479703,0.11028386,-0.28292512,-0.03636132,0.04184936,0.707801
 78,0.00020470,-0.00081236,0.00024152,-0.00004035,0.00003609,0.00601981
 ,0.00035842,0.00016244,-0.00013898,-0.00094057,0.00018420,0.00014142,0
 .00009121,0.00001307,0.00006260,0.00092516,0.01030261,0.00757629,-0.00
 001359,-0.00005195,-0.00003889,0.00005914,-0.00000277,0.00000876,0.000
 05965,-0.00001607,-0.00011676,0.00784680,-0.00431139,-0.00787254,-0.00
 902008,-0.00939788,0.00634703,0.02324885,-0.02982455,-0.06462096,-0.04
 866106,0.06249074,0.14175336,-0.00108927,-0.00284288,0.00071017,-0.027
 41461,-0.02703775,-0.00100861,-0.00035750,0.00006139,-0.00009627,0.000
 23209,-0.00109780,-0.00097027,-0.00485391,0.00276893,0.00051515,-0.175
 91705,-0.05183360,0.00549421,-0.00001015,-0.00031263,-0.00047287,0.000
 22503,-0.00026653,0.00019987,-0.00082967,-0.00162640,-0.00036424,0.062
 12038,-0.02735464,-0.00741830,-0.05402990,-0.02735106,0.00150274,-0.02
 264922,0.07941045,0.01168158,-0.33709999,-0.02373084,0.02441166,0.6894
 8651,-0.00013957,-0.00291071,0.00046420,-0.00697049,0.00997481,0.00009
 936,-0.00053311,0.00044852,-0.00003788,0.00092169,0.00012318,-0.000563
 51,0.00265995,-0.00010282,-0.00062626,-0.11119617,-0.25212717,-0.01005
 857,-0.00014464,-0.00033838,-0.00002990,0.00006471,-0.00012078,-0.0001
 1168,0.00058973,0.00062589,0.00010361,0.01600485,-0.05941632,-0.009523
 59,-0.02747297,-0.01529623,0.00163528,0.03341362,0.02893556,-0.0007716
 2,0.04103756,-0.12954784,-0.01246745,-0.03468904,0.69783142,-0.0013516
 2,-0.00235779,0.00218750,0.00229492,0.00595183,0.00097009,0.00040501,0
 .00011465,0.00019994,-0.00050999,0.00035885,0.00119438,0.00055723,-0.0
 0099676,0.00071752,-0.00148036,-0.01547067,-0.07106707,0.00022268,0.00
 029374,0.00014952,-0.00010908,-0.00019216,-0.00007633,0.00016827,0.000
 18211,0.00035291,-0.00293627,-0.00574025,0.00954557,0.00095628,0.00173
 269,-0.00624752,0.00692653,-0.00488326,0.00476069,0.03211450,-0.006733
 13,-0.06334104,-0.05707287,0.06616874,0.14889885,0.00005438,-0.0004205
 3,0.00003301,0.00023492,-0.00005141,-0.00045599,0.00006833,0.00007738,
 -0.00001728,0.00010477,-0.00011487,-0.00008866,-0.00217271,0.00087412,
 0.00029961,0.01191074,0.01094992,0.00037746,-0.00083864,0.00007735,-0.
 00005371,-0.00162845,0.00017977,0.00025958,0.00010929,0.00023548,0.000
 09773,-0.13610453,-0.12477904,-0.00435847,-0.01293804,-0.02845574,-0.0
 0175828,-0.00532603,0.00154268,0.00144133,-0.00066115,0.00086272,0.000
 07790,-0.00068168,0.00318655,0.00105179,0.14698045,0.00060758,0.000412
 81,-0.00003013,-0.00232564,-0.00030191,0.00056680,-0.00019405,-0.00014
 621,-0.00007258,0.00007612,0.00007019,0.00001756,-0.00061945,0.0001160
 2,0.00021587,-0.01617229,-0.01968646,-0.00096952,0.00025522,0.00005166
 ,0.00056246,-0.00011403,0.00071201,-0.00060851,-0.00020119,0.00063529,
 0.00014889,-0.12402399,-0.25815651,-0.01327514,0.00237897,0.00467835,-
 0.00000603,0.00065776,0.00182704,-0.00077025,0.00093155,0.00012018,0.0
 0005531,0.00388666,-0.00345232,-0.00153042,0.13602005,0.27324436,-0.00
 067818,0.00066161,-0.00007821,-0.00025125,-0.00001994,-0.00406558,-0.0
 0008474,0.00002755,0.00018964,0.00069062,-0.00025221,0.00002566,-0.000
 00101,-0.00044521,0.00094856,-0.00233829,-0.00354227,0.00315169,-0.000
 51082,0.00008821,-0.00031139,0.00060591,0.00013232,-0.00024386,0.00003
 090,0.00015049,-0.00040961,-0.00460013,-0.01316682,-0.03667954,0.00166
 851,0.00298215,0.00243979,0.00132539,-0.00076526,0.00724878,0.00014833
 ,-0.00003599,-0.00058984,0.00101515,-0.00144547,0.00612457,0.00360367,
 0.01508513,0.02649177,-0.00058158,0.00030180,-0.00018498,0.00053271,0.
 00114951,0.00021626,0.00007373,-0.00000996,0.00007387,-0.00023863,-0.0
 0000537,0.00008995,0.00002914,0.00008635,-0.00002038,-0.00572702,-0.00
 103139,0.00118691,-0.00000416,-0.00001634,-0.00003903,0.00000136,-0.00
 002314,0.00003259,-0.00003415,-0.00004251,-0.00001379,-0.00961934,0.02
 952604,0.00456611,-0.11305450,0.10716398,0.02001792,0.01185688,-0.0165
 4787,-0.00283886,-0.00116254,-0.00335212,0.00045434,-0.00091313,-0.000
 84589,-0.00009492,0.00108234,-0.00031779,-0.00048620,0.11650145,0.0001
 0628,-0.00003911,0.00003387,-0.00038316,0.00002124,-0.00003956,-0.0000
 4312,0.00000430,-0.00003437,0.00007138,-0.00001615,0.00000012,0.000054
 48,-0.00002239,-0.00001137,-0.00015315,0.00202853,-0.00057751,-0.00000
 537,0.00000194,-0.00000994,-0.00000713,-0.00000283,0.00001132,0.000023
 73,0.00000200,0.00000068,-0.00113270,0.00209751,0.00015170,0.10722820,
 -0.27500532,-0.03817694,0.01429819,-0.01907718,-0.00381013,-0.00433407
 ,-0.00265729,-0.00079342,-0.00081156,0.00030425,0.00023685,0.00042263,
 0.00082162,0.00048668,-0.11591432,0.29161287,0.00033259,-0.00013236,0.
 00014230,-0.00024937,-0.00007106,0.00016853,0.00000065,0.00002092,-0.0
 0003643,-0.00004131,-0.00005999,-0.00000142,-0.00000224,-0.00004835,-0
 .00008170,0.00133735,-0.00047826,0.00717339,-0.00004796,-0.00000797,0.
 00002105,0.00000742,-0.00000048,0.00001099,0.00001348,0.00000330,0.000
 02282,0.00090168,-0.00290766,0.00143334,0.02004060,-0.03816839,-0.0409
 1628,0.00069892,-0.00071346,0.00186065,0.00039955,-0.00088841,0.007434
 37,-0.00015008,0.00030244,-0.00087005,-0.00041268,0.00057179,-0.003623
 00,-0.02233647,0.04204840,0.03190899,-0.00014911,0.00002638,-0.0000542
 4,0.00007463,-0.00003961,-0.00012841,0.00004332,-0.00000740,0.00004882
 ,0.00002518,0.00000483,0.00000899,-0.00007120,0.00000775,0.00001221,0.
 00066770,-0.00008595,-0.00016800,0.00001688,-0.00000784,0.00002214,0.0
 0001779,0.00001572,-0.00003402,-0.00002818,0.00001808,-0.00000235,0.00
 042627,-0.00353331,0.00033349,-0.01330872,0.00328641,0.00183162,-0.331
 82411,0.01224270,0.03038603,-0.01026016,-0.00173453,0.00093957,0.00100
 285,0.00285032,0.00098125,-0.00070223,0.00022997,0.00011508,0.00082551
 ,-0.00023306,-0.00047330,0.35300946,0.00010568,0.00016152,-0.00001974,
 0.00003302,-0.00004927,0.00016863,-0.00003557,-0.00002556,-0.00002690,
 -0.00004498,0.00002197,0.00002969,-0.00001041,-0.00000546,0.00002691,-
 0.00014074,-0.00139358,-0.00006107,0.00002499,0.00000545,0.00004148,0.
 00001411,0.00003534,-0.00004739,-0.00001003,0.00004429,0.00000932,-0.0
 0258245,-0.00404118,-0.00111138,-0.02758831,0.00588604,0.00316366,0.01
 233191,-0.06016509,-0.00410679,0.02906007,0.00357718,-0.00264975,0.001
 90414,-0.00463670,-0.00152998,-0.00129967,0.00007295,0.00011749,0.0006
 4714,0.00095460,0.00047282,-0.01318456,0.05854820,-0.00005088,0.000204
 67,-0.00001880,-0.00001230,-0.00001752,-0.00097787,-0.00002608,-0.0000
 1930,0.00004604,0.00013725,-0.00009131,-0.00005216,-0.00002612,-0.0000
 5992,0.00003042,-0.00021255,0.00001312,-0.00103964,-0.00000528,-0.0000
 1322,-0.00001921,-0.00003510,0.00002216,-0.00002215,0.00001017,0.00001
 160,-0.00001941,0.00034825,-0.00104714,0.00773981,-0.00163720,0.000200
 13,0.00187650,0.03037299,-0.00422450,-0.03789740,0.00436066,0.00054241
 ,0.00126651,0.00098403,-0.00166537,0.00725956,-0.00007085,-0.00001962,
 0.00019429,-0.00038221,0.00056312,-0.00366153,-0.03349957,0.00512519,0
 .02865355,-0.00003914,0.00025166,-0.00018509,0.00010738,-0.00178504,-0
 .00006927,0.00002964,-0.00004183,0.00005725,0.00000589,0.00000537,0.00
 004910,-0.00048856,0.00027535,0.00009664,-0.00536591,0.00160429,0.0015
 8102,0.00001928,-0.00000492,-0.00002802,0.00002031,-0.00000679,0.00001
 549,-0.00011745,-0.00015610,-0.00004399,-0.00074102,0.00097129,0.00010
 971,-0.00034096,0.00293794,0.00105320,0.01170446,0.01325021,0.00056122
 ,-0.13994243,-0.12509576,-0.00437385,-0.01284197,-0.02832403,-0.001947
 73,0.00003289,-0.00009790,-0.00012988,0.00037457,0.00072755,0.00006836
 ,0.00078462,-0.00055265,-0.00046154,0.14567985,-0.00013036,0.00004628,
 -0.00003118,0.00029849,0.00004342,-0.00003070,0.00003553,-0.00002428,0
 .00003144,-0.00006199,0.00001199,-0.00000613,-0.00000953,0.00002517,0.
 00002155,0.00077482,0.00183172,-0.00082973,0.00001068,-0.00000484,0.00
 000472,0.00000631,-0.00000543,-0.00001051,-0.00000707,-0.00000104,0.00
 000550,0.00092704,0.00019249,0.00003410,0.00387496,-0.00333804,-0.0016
 3106,-0.01754373,-0.01884027,-0.00066765,-0.12515277,-0.25332876,-0.01
 321284,0.00230191,0.00464370,0.00014556,-0.00006822,-0.00001915,0.0001
 5017,-0.00087399,-0.00100022,-0.00004932,0.00035060,0.00097940,0.00048
 335,0.13560528,0.26802118,-0.00017630,0.00010246,-0.00010833,0.0000864
 7,-0.00014824,0.00023415,-0.00005292,-0.00001294,0.00002596,0.00007099
 ,-0.00001126,-0.00001319,0.00007225,0.00006213,-0.00009335,0.00124811,
 -0.00072111,0.00774281,-0.00001774,-0.00004053,-0.00001820,0.00000860,
 0.00001105,0.00000354,0.00000972,0.00003343,-0.00004856,0.00012164,-0.
 00000343,-0.00071692,0.00112317,-0.00153422,0.00701514,-0.00296768,-0.
 00358378,0.00186079,-0.00434338,-0.01327374,-0.03647382,0.00175512,0.0
 0318190,0.00246647,-0.00012551,0.00014363,-0.00122929,-0.00011327,-0.0
 0019734,0.00020592,-0.00036991,0.00057914,-0.00343057,0.00409721,0.015
 00280,0.02651748,-0.00103266,0.00011617,-0.00003324,0.00019632,-0.0006
 8670,-0.00022099,-0.00013232,-0.00007629,-0.00025968,-0.00001526,-0.00
 000316,0.00008337,0.00010334,0.00012571,-0.00000731,0.01226761,-0.0148
 6938,-0.00274256,0.00003768,0.00001955,0.00004093,0.00004163,0.0001285
 4,-0.00005602,0.00000463,0.00000744,0.00001472,-0.00163874,-0.00340591
 ,0.00029519,-0.00077079,-0.00072882,-0.00008330,-0.00538943,-0.0010473
 0,0.00101610,-0.00954015,0.02900883,0.00437212,-0.11437881,0.10958694,
 0.01982438,0.00047534,-0.00097754,-0.00012305,0.00005735,0.00008521,-0
 .00008721,-0.00055048,0.00132831,0.00020633,0.00111855,-0.00033797,-0.
 00042656,0.11914620,0.00110517,0.00188702,-0.00004080,0.00193499,-0.00
 113783,0.00082328,-0.00018302,-0.00018291,-0.00017086,-0.00064453,0.00
 000705,0.00025784,-0.00011283,0.00010936,0.00018773,0.01302017,-0.0203
 2147,-0.00406521,0.00010246,0.00006340,0.00007018,0.00003170,0.0000778
 2,-0.00007759,-0.00007090,0.00000199,0.00000295,-0.00415150,-0.0028014
 1,-0.00048411,-0.00076892,0.00032427,0.00014739,-0.00031923,0.00181905
 ,-0.00049982,-0.00138751,0.00312510,0.00029599,0.10862124,-0.27493807,
 -0.03575061,0.00076083,-0.00099990,-0.00020863,0.00010589,-0.00002836,
 0.00010604,-0.00020650,0.00002990,-0.00000787,0.00043610,0.00076669,0.
 00041005,-0.11827361,0.29219829,0.00005136,0.00122712,-0.00049591,-0.0
 0014637,-0.00036672,-0.00247252,-0.00053189,-0.00042126,-0.00016182,0.
 00039502,-0.00027694,-0.00047430,-0.00011616,0.00013013,-0.00026962,0.
 00066479,-0.00086699,0.00388307,-0.00001961,-0.00004731,-0.00001080,0.
 00004195,0.00008532,-0.00000400,-0.00004014,-0.00003017,0.00006402,0.0
 0019340,-0.00075482,0.00608973,-0.00008303,0.00020461,-0.00064367,0.00
 137553,-0.00047661,0.00768357,0.00117227,-0.00319736,0.00234118,0.0192
 8381,-0.03465425,-0.04322558,0.00009934,-0.00008525,0.00041558,-0.0001
 2782,0.00011783,-0.00119195,0.00005062,-0.00018133,0.00007208,-0.00044
 984,0.00058994,-0.00394003,-0.02181323,0.03900405,0.03234097\\0.000003
 63,-0.00000208,0.00000562,-0.00001109,0.00000676,-0.00000518,-0.000000
 44,-0.00000145,0.00000116,-0.00000021,0.00000008,-0.00000242,0.0000019
 7,0.00000579,0.00000500,0.00000210,-0.00003707,-0.00000469,0.00000014,
 -0.00000074,-0.00000143,0.00000089,-0.00000099,-0.00000007,-0.00000111
 ,-0.00000055,-0.00000063,-0.00001478,0.00001467,0.00000309,0.00001928,
 0.00000810,-0.00000030,-0.00000108,-0.00001948,-0.00000281,-0.00001741
 ,0.00001370,0.00000298,0.00001837,0.00001575,0.00000238,0.00000048,-0.
 00000059,-0.00000041,-0.00000031,-0.00000055,-0.00000073,0.00000083,0.
 00000064,0.00000024,0.00000118,-0.00000120,0.00000007,-0.00000243,-0.0
 0000078,-0.00000187\\\@


 Just remember, when you're over the hill, you begin to pick up speed.
 -- Charles Schulz
 Job cpu time:       0 days  1 hours 47 minutes 17.1 seconds.
 Elapsed time:       0 days  0 hours 13 minutes 28.0 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:43:11 2021.
